N-(2,6-dimethylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide Traditional Name: N-(2,6-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(=CC=C1)C)NC(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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