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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclopentyl)ethanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclopentyl)acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-N-(1-cyanocyclopentyl)acetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclopentyl)acetamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-N-(1-cyanocyclopentyl)acetamide Formula: C25H33N5OS MolecularWeight: 451.62742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCC(=O)NC4(CCCC4)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCC(=O)NC4(CCCC4)C#N

InChI

InChI=1S/C25H33N5OS/c1-24(2,3)19-12-10-18(11-13-19)22-28-29-23(30(22)20-8-4-5-9-20)32-16-21(31)27-25(17-26)14-6-7-15-25/h10-13,20H,4-9,14-16H2,1-3H3,(H,27,31)