3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methyl-5-(o-tolyl)-1,2,4-triazole CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-methyl-5-(o-tolyl)-1,2,4-triazole Formula: C18H16BrN3O2S MolecularWeight: 418.30754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C18H16BrN3O2S/c1-11-5-3-4-6-13(11)17-20-21-18(22(17)2)25-9-12-7-15-16(8-14(12)19)24-10-23-15/h3-8H,9-10H2,1-2H3