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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-propanamide Openeye Name: 2-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-propanamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-cyclopentylpropanamide IUPAC Name: 2-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylpropanamide Traditional Name: 2-[[4-benzyl-5-(4-tert-butylphenyl)-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:

CC(C(=O)NC1CCCC1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C(=O)NC1CCCC1)SC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H34N4OS/c1-19(25(32)28-23-12-8-9-13-23)33-26-30-29-24(31(26)18-20-10-6-5-7-11-20)21-14-16-22(17-15-21)27(2,3)4/h5-7,10-11,14-17,19,23H,8-9,12-13,18H2,1-4H3,(H,28,32)