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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)propanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)propanamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-N-(4-methylphenyl)propanamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)propanamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)propionamide Formula: C27H34N4OS MolecularWeight: 462.65006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C3CCCC3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C3CCCC3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H34N4OS/c1-18-10-16-22(17-11-18)28-25(32)19(2)33-26-30-29-24(31(26)23-8-6-7-9-23)20-12-14-21(15-13-20)27(3,4)5/h10-17,19,23H,6-9H2,1-5H3,(H,28,32)