N-(2,6-dimethylphenyl)-2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[(5-methyl-4-phenethyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C

InChI

InChI=1S/C21H24N4OS/c1-15-8-7-9-16(2)20(15)22-19(26)14-27-21-24-23-17(3)25(21)13-12-18-10-5-4-6-11-18/h4-11H,12-14H2,1-3H3,(H,22,26)