N-(4-methyl-3-nitro-phenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-[(1-phenyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(4-methyl-3-nitro-phenyl)-2-[(1-phenylbenzimidazol-2-yl)thio]acetamide Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O3S/c1-15-11-12-16(13-20(15)26(28)29)23-21(27)14-30-22-24-18-9-5-6-10-19(18)25(22)17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,23,27)