2-(4-chlorophenyl)-3-(methylsulfanylmethylsulfanyl)-1-(1,2,4-triazol-1-yl)butan-2-ol

Systemtic Name: 2-(4-chlorophenyl)-3-(methylsulfanylmethylsulfanyl)-1-(1,2,4-triazol-1-yl)butan-2-ol Openeye Name: 2-(4-chlorophenyl)-3-(methylsulfanylmethylsulfanyl)-1-(1,2,4-triazol-1-yl)butan-2-ol CAS Name: 2-(4-chlorophenyl)-3-[(methylthio)methylthio]-1-(1,2,4-triazol-1-yl)-2-butanol IUPAC Name: 2-(4-chlorophenyl)-3-(methylsulfanylmethylsulfanyl)-1-(1,2,4-triazol-1-yl)butan-2-ol Traditional Name: 2-(4-chlorophenyl)-3-[(methylthio)methylthio]-1-(1,2,4-triazol-1-yl)butan-2-ol Formula: C14H18ClN3OS2 MolecularWeight: 343.89522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1C=NC=N1)(C2=CC=C(C=C2)Cl)O)SCSC

Isomeric SMILES

CC(C(CN1C=NC=N1)(C2=CC=C(C=C2)Cl)O)SCSC

InChI

InChI=1S/C14H18ClN3OS2/c1-11(21-10-20-2)14(19,7-18-9-16-8-17-18)12-3-5-13(15)6-4-12/h3-6,8-9,11,19H,7,10H2,1-2H3