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

Systemtic Name: N-(2-tert-butylphenyl)-2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-tert-butylphenyl)-2-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-tert-butylphenyl)-2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-tert-butylphenyl)-2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-tert-butylphenyl)-2-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4C(C)(C)C

InChI

InChI=1S/C27H28N4OS/c1-19-14-16-20(17-15-19)25-29-30-26(31(25)21-10-6-5-7-11-21)33-18-24(32)28-23-13-9-8-12-22(23)27(2,3)4/h5-17H,18H2,1-4H3,(H,28,32)