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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-N-propylacetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-N-propyl-acetamide Formula: C22H32N4OS MolecularWeight: 400.58068

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(N1C2CCCC2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(N1C2CCCC2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H32N4OS/c1-5-14-23-19(27)15-28-21-25-24-20(26(21)18-8-6-7-9-18)16-10-12-17(13-11-16)22(2,3)4/h10-13,18H,5-9,14-15H2,1-4H3,(H,23,27)