2-(4-bromophenyl)-1-(methylsulfonylmethylsulfanyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

Systemtic Name: 2-(4-bromophenyl)-1-(methylsulfonylmethylsulfanyl)-3-(1,2,4-triazol-1-yl)propan-2-ol Openeye Name: 2-(4-bromophenyl)-1-(methylsulfonylmethylsulfanyl)-3-(1,2,4-triazol-1-yl)propan-2-ol CAS Name: 2-(4-bromophenyl)-1-(methylsulfonylmethylthio)-3-(1,2,4-triazol-1-yl)-2-propanol IUPAC Name: 2-(4-bromophenyl)-1-(methylsulfonylmethylsulfanyl)-3-(1,2,4-triazol-1-yl)propan-2-ol Traditional Name: 2-(4-bromophenyl)-1-(mesylmethylthio)-3-(1,2,4-triazol-1-yl)propan-2-ol Formula: C13H16BrN3O3S2 MolecularWeight: 406.31844

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CSCC(CN1C=NC=N1)(C2=CC=C(C=C2)Br)O

Isomeric SMILES

CS(=O)(=O)CSCC(CN1C=NC=N1)(C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C13H16BrN3O3S2/c1-22(19,20)10-21-7-13(18,6-17-9-15-8-16-17)11-2-4-12(14)5-3-11/h2-5,8-9,18H,6-7,10H2,1H3