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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)ethanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(1-cyanocyclohexyl)acetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)acetamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(1-cyanocyclohexyl)acetamide Formula: C23H31N5OS MolecularWeight: 425.59014

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2(CCCCC2)C#N)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2(CCCCC2)C#N)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H31N5OS/c1-5-28-20(17-9-11-18(12-10-17)22(2,3)4)26-27-21(28)30-15-19(29)25-23(16-24)13-7-6-8-14-23/h9-12H,5-8,13-15H2,1-4H3,(H,25,29)