3-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methyl-5-nitro-phenyl)propanamide

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 3-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 3-(1H-benzimidazol-2-ylthio)-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 3-(1H-benzimidazol-2-ylthio)-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C17H16N4O3S/c1-11-6-7-12(21(23)24)10-15(11)18-16(22)8-9-25-17-19-13-4-2-3-5-14(13)20-17/h2-7,10H,8-9H2,1H3,(H,18,22)(H,19,20)