2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylcyclohexyl)ethanamide

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylcyclohexyl)ethanamide Openeye Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2,3-dimethylcyclohexyl)acetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide Traditional Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2,3-dimethylcyclohexyl)acetamide Formula: C25H36N4OS MolecularWeight: 440.64454

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1CCCC(C1C)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H36N4OS/c1-7-15-29-23(19-11-13-20(14-12-19)25(4,5)6)27-28-24(29)31-16-22(30)26-21-10-8-9-17(2)18(21)3/h7,11-14,17-18,21H,1,8-10,15-16H2,2-6H3,(H,26,30)