N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C17H15N4OS+ MolecularWeight: 323.3922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4OS/c1-11-2-7-14-15(8-11)21-17(20-14)23-10-16(22)19-13-5-3-12(9-18)4-6-13/h2-8H,10H2,1H3,(H,19,22)(H,20,21)/p+1