2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(3-nitrophenyl)acetamide Formula: C16H15N4O3S+ MolecularWeight: 343.3803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O3S/c1-10-5-6-13-14(7-10)19-16(18-13)24-9-15(21)17-11-3-2-4-12(8-11)20(22)23/h2-8H,9H2,1H3,(H,17,21)(H,18,19)/p+1