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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C27H34N4OS MolecularWeight: 462.65006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)NC4CCCCC4

InChI

InChI=1S/C27H34N4OS/c1-27(2,3)22-16-14-21(15-17-22)25-29-30-26(31(25)18-20-10-6-4-7-11-20)33-19-24(32)28-23-12-8-5-9-13-23/h4,6-7,10-11,14-17,23H,5,8-9,12-13,18-19H2,1-3H3,(H,28,32)