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

Systemtic Name: 1-(4-chlorophenyl)-4,4-dimethyl-1-methylsulfanyl-2-(1,2,4-triazol-1-yl)pentan-3-ol Openeye Name: 1-(4-chlorophenyl)-4,4-dimethyl-1-methylsulfanyl-2-(1,2,4-triazol-1-yl)pentan-3-ol CAS Name: 1-(4-chlorophenyl)-4,4-dimethyl-1-(methylthio)-2-(1,2,4-triazol-1-yl)-3-pentanol IUPAC Name: 1-(4-chlorophenyl)-4,4-dimethyl-1-methylsulfanyl-2-(1,2,4-triazol-1-yl)pentan-3-ol Traditional Name: 1-(4-chlorophenyl)-4,4-dimethyl-1-(methylthio)-2-(1,2,4-triazol-1-yl)pentan-3-ol Formula: C16H22ClN3OS MolecularWeight: 339.88338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3OS/c1-16(2,3)15(21)13(20-10-18-9-19-20)14(22-4)11-5-7-12(17)8-6-11/h5-10,13-15,21H,1-4H3