N-(4-butan-2-ylphenyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-butan-2-ylphenyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sec-butylphenyl)acetamide CAS Name: N-(4-butan-2-ylphenyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-butan-2-ylphenyl)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-(4-sec-butylphenyl)acetamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4OS/c1-5-16(3)17-9-11-19(12-10-17)23-20(27)14-28-22-25-24-21(26(22)4)18-8-6-7-15(2)13-18/h6-13,16H,5,14H2,1-4H3,(H,23,27)