S-(1H-benzimidazol-2-yl) 2-[(4-nitrophenyl)amino]ethanethioate

Systemtic Name: S-(1H-benzimidazol-2-yl) 2-[(4-nitrophenyl)amino]ethanethioate Openeye Name: S-(1H-benzimidazol-2-yl) 2-(4-nitroanilino)ethanethioate CAS Name: 2-(4-nitroanilino)ethanethioic acid S-(1H-benzimidazol-2-yl) ester IUPAC Name: S-(1H-benzimidazol-2-yl) 2-(4-nitroanilino)ethanethioate Traditional Name: 2-(4-nitroanilino)ethanethioic acid S-(1H-benzimidazol-2-yl) ester Formula: C15H12N4O3S MolecularWeight: 328.34578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC(=O)CNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC(=O)CNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O3S/c20-14(9-16-10-5-7-11(8-6-10)19(21)22)23-15-17-12-3-1-2-4-13(12)18-15/h1-8,16H,9H2,(H,17,18)