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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)SC2=NN=C(N2C3CCCC3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)SC2=NN=C(N2C3CCCC3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H34N4OS/c1-19(25(32)28-18-20-10-6-5-7-11-20)33-26-30-29-24(31(26)23-12-8-9-13-23)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)