S-(4-nitrophenyl) 2-(1H-benzimidazol-2-ylamino)ethanethioate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)NCC(=O)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)NCC(=O)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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