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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4-methyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4-methyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-4-methyl-5-[(3R)-3-methyl-2H-1,4-benzodioxin-3-yl]-1,2,4-triazole Formula: C19H18BrN3O2S MolecularWeight: 432.33412

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=CC=CC=C2O1)C3=NN=C(N3C)SCC4=CC(=CC=C4)Br

Isomeric SMILES

C[C@]1(COC2=CC=CC=C2O1)C3=NN=C(N3C)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C19H18BrN3O2S/c1-19(12-24-15-8-3-4-9-16(15)25-19)17-21-22-18(23(17)2)26-11-13-6-5-7-14(20)10-13/h3-10H,11-12H2,1-2H3/t19-/m0/s1