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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NC3CCCC3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NC3CCCC3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H34N4OS/c1-18-10-6-9-13-23(18)31-24(20-14-16-21(17-15-20)27(3,4)5)29-30-26(31)33-19(2)25(32)28-22-11-7-8-12-22/h6,9-10,13-17,19,22H,7-8,11-12H2,1-5H3,(H,28,32)