3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-(4-methylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-5-(p-tolyl)-1H-1,2,4-triazole Formula: C17H16BrN3OS MolecularWeight: 390.29744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C17H16BrN3OS/c1-11-3-6-13(7-4-11)16-19-17(21-20-16)23-10-12-5-8-15(22-2)14(18)9-12/h3-9H,10H2,1-2H3,(H,19,20,21)