5-(2-bromophenyl)-3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-(2-bromophenyl)-3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-(2-bromophenyl)-3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-(2-bromophenyl)-3-[[(4R)-1,3-dioxan-4-yl]methylthio]-1H-1,2,4-triazole IUPAC Name: 5-(2-bromophenyl)-3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-(2-bromophenyl)-3-[[(4R)-1,3-dioxan-4-yl]methylthio]-1H-1,2,4-triazole Formula: C13H14BrN3O2S MolecularWeight: 356.23816

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Descriptors Computed from Structure

Canonical SMILES:

C1COCOC1CSC2=NNC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

C1COCO[C@H]1CSC2=NNC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C13H14BrN3O2S/c14-11-4-2-1-3-10(11)12-15-13(17-16-12)20-7-9-5-6-18-8-19-9/h1-4,9H,5-8H2,(H,15,16,17)/t9-/m1/s1