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

Systemtic Name: N-butan-2-yl-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butan-2-yl-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-sec-butyl-acetamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCC(C)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-4-16(3)22-19(26)14-27-21-24-23-20(17-8-6-5-7-9-17)25(21)18-12-10-15(2)11-13-18/h5-13,16H,4,14H2,1-3H3,(H,22,26)