2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)C3=CC=C(C=C3)C(C)(C)C

InChI

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