S-(6-nitro-1H-benzimidazol-2-yl) pyridine-3-carbothioate

Systemtic Name: S-(6-nitro-1H-benzimidazol-2-yl) pyridine-3-carbothioate Openeye Name: S-(6-nitro-1H-benzimidazol-2-yl) pyridine-3-carbothioate CAS Name: 3-pyridinecarbothioic acid S-(6-nitro-1H-benzimidazol-2-yl) ester IUPAC Name: S-(6-nitro-1H-benzimidazol-2-yl) pyridine-3-carbothioate Traditional Name: pyridine-3-carbothioic acid S-(6-nitro-1H-benzimidazol-2-yl) ester Formula: C13H8N4O3S MolecularWeight: 300.29262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C(=O)SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H8N4O3S/c18-12(8-2-1-5-14-7-8)21-13-15-10-4-3-9(17(19)20)6-11(10)16-13/h1-7H,(H,15,16)