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

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(4-methylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(p-tolyl)-1H-1,2,4-triazole Formula: C17H14BrN3O2S MolecularWeight: 404.28096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C17H14BrN3O2S/c1-10-2-4-11(5-3-10)16-19-17(21-20-16)24-8-12-6-14-15(7-13(12)18)23-9-22-14/h2-7H,8-9H2,1H3,(H,19,20,21)