N-(3,4-dimethylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide Traditional Name: N-(3,4-dimethylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide Formula: C18H19N4OS+ MolecularWeight: 339.43466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C18H18N4OS/c1-13-8-9-15(10-14(13)2)21-17(23)11-24-18-19-12-20-22(18)16-6-4-3-5-7-16/h3-10,12H,11H2,1-2H3,(H,21,23)/p+1