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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 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]propanamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=NN=C(N1C2CCCC2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C(=O)N)SC1=NN=C(N1C2CCCC2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H28N4OS/c1-13(17(21)25)26-19-23-22-18(24(19)16-7-5-6-8-16)14-9-11-15(12-10-14)20(2,3)4/h9-13,16H,5-8H2,1-4H3,(H2,21,25)