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

Systemtic Name: N-(4-butan-2-ylphenyl)-2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sec-butylphenyl)acetamide CAS Name: N-(4-butan-2-ylphenyl)-2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-butan-2-ylphenyl)-2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-N-(4-sec-butylphenyl)acetamide Formula: C29H38N4OS MolecularWeight: 490.70322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CCCC3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3CCCC3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C29H38N4OS/c1-6-20(2)21-13-17-24(18-14-21)30-26(34)19-35-28-32-31-27(33(28)25-9-7-8-10-25)22-11-15-23(16-12-22)29(3,4)5/h11-18,20,25H,6-10,19H2,1-5H3,(H,30,34)