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S-(6-nitro-1H-benzimidazol-2-yl) heptanethioate

S-(6-nitro-1H-benzimidazol-2-yl) heptanethioate

Systemtic Name:S-(6-nitro-1H-benzimidazol-2-yl) heptanethioate
Openeye Name:S-(6-nitro-1H-benzimidazol-2-yl) heptanethioate
CAS Name:heptanethioic acid S-(6-nitro-1H-benzimidazol-2-yl) ester
IUPAC Name:S-(6-nitro-1H-benzimidazol-2-yl) heptanethioate
Traditional Name:heptanethioic acid S-(6-nitro-1H-benzimidazol-2-yl) ester
Formula: C14H17N3O3S
MolecularWeight: 307.36808
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)SC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]


Isomeric SMILES

CCCCCCC(=O)SC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]


InChI

InChI=1S/C14H17N3O3S/c1-2-3-4-5-6-13(18)21-14-15-11-8-7-10(17(19)20)9-12(11)16-14/h7-9H,2-6H2,1H3,(H,15,16)


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