S-(1H-benzimidazol-2-yl) 3-nitrobenzenecarbothioate

Systemtic Name: S-(1H-benzimidazol-2-yl) 3-nitrobenzenecarbothioate Openeye Name: S-(1H-benzimidazol-2-yl) 3-nitrobenzenecarbothioate CAS Name: 3-nitrobenzenecarbothioic acid S-(1H-benzimidazol-2-yl) ester IUPAC Name: S-(1H-benzimidazol-2-yl) 3-nitrobenzenecarbothioate Traditional Name: 3-nitrothiobenzoic acid S-(1H-benzimidazol-2-yl) ester Formula: C14H9N3O3S MolecularWeight: 299.30456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H9N3O3S/c18-13(9-4-3-5-10(8-9)17(19)20)21-14-15-11-6-1-2-7-12(11)16-14/h1-8H,(H,15,16)