2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(2-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C17H17N4O3S+ MolecularWeight: 357.40688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=[N+](C3=CC=CC=C3N2)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=[N+](C3=CC=CC=C3N2)C

InChI

InChI=1S/C17H16N4O3S/c1-11-12(7-5-9-14(11)21(23)24)18-16(22)10-25-17-19-13-6-3-4-8-15(13)20(17)2/h3-9H,10H2,1-2H3,(H,18,22)/p+1