Viewing Compound With Structures

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Compound Report Overview

Compound Name: C-1
Compound Identifier: 707395
Mol Structure 2D: 707395
Molecular Weight: 277
Formula: C13 H15 N3 O2 S
Development Status: Biochemical standard
SMILES: O=S(=O)(N1CCNCC1)c2cccc3cnccc23
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222012D 0 0.00000 0.00000 0^^ 19 21 0 0 0 999 V2000^ -0.8875 -0.0667 0.0000 S 0 0 3 0 0 0 0 0 0^ -0.8875 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8875 1.1333 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.1167 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.0833 -0.0667 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.2792 -0.0667 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.8875 3.4583 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.1417 -3.0042 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.1167 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1167 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9083 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9083 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1167 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9083 2.9083 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1292 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1292 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9083 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1417 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8875 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 1 0 0 0^ 4 2 1 0 0 0^ 5 1 2 0 0 0^ 6 1 2 0 0 0^ 7 14 1 0 0 0^ 8 18 1 0 0 0^ 9 4 2 0 0 0^ 10 3 1 0 0 0^ 11 3 1 0 0 0^ 12 2 2 0 0 0^ 13 10 1 0 0 0^ 14 11 1 0 0 0^ 15 9 1 0 0 0^ 16 4 1 0 0 0^ 17 12 1 0 0 0^ 18 16 2 0 0 0^ 19 17 2 0 0 0^ 7 13 1 0 0 0^ 19 9 1 0 0 0^ 8 15 2 0 0 0^M END^^
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