2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-methyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(2-methyl-4-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/c1-11-9-12(21(23)24)7-8-13(11)18-16(22)10-25-17-19-14-5-3-4-6-15(14)20(17)2/h3-9H,10H2,1-2H3,(H,18,22)/p+1