1-(4-chlorophenyl)-4,4-dimethyl-1-methylsulfanyl-2-(1,2,4-triazol-1-yl)pentan-3-one

Systemtic Name: 1-(4-chlorophenyl)-4,4-dimethyl-1-methylsulfanyl-2-(1,2,4-triazol-1-yl)pentan-3-one Openeye Name: 1-(4-chlorophenyl)-4,4-dimethyl-1-methylsulfanyl-2-(1,2,4-triazol-1-yl)pentan-3-one CAS Name: 1-(4-chlorophenyl)-4,4-dimethyl-1-(methylthio)-2-(1,2,4-triazol-1-yl)-3-pentanone IUPAC Name: 1-(4-chlorophenyl)-4,4-dimethyl-1-methylsulfanyl-2-(1,2,4-triazol-1-yl)pentan-3-one Traditional Name: 1-(4-chlorophenyl)-4,4-dimethyl-1-(methylthio)-2-(1,2,4-triazol-1-yl)pentan-3-one Formula: C16H20ClN3OS MolecularWeight: 337.8675

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C(C1=CC=C(C=C1)Cl)SC)N2C=NC=N2

Isomeric SMILES

CC(C)(C)C(=O)C(C(C1=CC=C(C=C1)Cl)SC)N2C=NC=N2

InChI

InChI=1S/C16H20ClN3OS/c1-16(2,3)15(21)13(20-10-18-9-19-20)14(22-4)11-5-7-12(17)8-6-11/h5-10,13-14H,1-4H3