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

Systemtic Name: 1-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]acetone Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3OS/c1-14(24)13-25-19-22-21-18(23(19)17-7-5-6-8-17)15-9-11-16(12-10-15)20(2,3)4/h9-12,17H,5-8,13H2,1-4H3