N-(2,4-dimethyl-6-nitro-phenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,4-dimethyl-6-nitro-phenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-(2,4-dimethyl-6-nitro-phenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-(2,4-dimethyl-6-nitrophenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-(2,4-dimethyl-6-nitrophenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-(2,4-dimethyl-6-nitro-phenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C18H19N4O3S+ MolecularWeight: 371.43346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S/c1-11-8-12(2)17(15(9-11)22(24)25)20-16(23)10-26-18-19-13-6-4-5-7-14(13)21(18)3/h4-9H,10H2,1-3H3,(H,20,23)/p+1