3-[(4-bromophenyl)methylsulfanyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,2,4-triazole Formula: C18H16BrN3O2S MolecularWeight: 418.30754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C18H16BrN3O2S/c1-22-17(13-4-7-15-16(10-13)24-9-8-23-15)20-21-18(22)25-11-12-2-5-14(19)6-3-12/h2-7,10H,8-9,11H2,1H3