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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(diphenylmethyl)ethanamide Openeye Name: N-benzhydryl-2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-(diphenylmethyl)acetamide IUPAC Name: N-benzhydryl-2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-benzhydryl-2-[[5-(4-tert-butylphenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C33H38N4OS MolecularWeight: 538.74602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H38N4OS/c1-33(2,3)27-21-19-26(20-22-27)31-35-36-32(37(31)28-17-11-6-12-18-28)39-23-29(38)34-30(24-13-7-4-8-14-24)25-15-9-5-10-16-25/h4-5,7-10,13-16,19-22,28,30H,6,11-12,17-18,23H2,1-3H3,(H,34,38)