N-(3-ethanoylphenyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-acetylphenyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)CCC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-15(26)17-9-6-10-18(13-17)22-20(27)14-28-21-24-23-19(25(21)2)12-11-16-7-4-3-5-8-16/h3-10,13H,11-12,14H2,1-2H3,(H,22,27)