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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-(4-methoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Formula: C17H16BrN3O2S MolecularWeight: 406.29684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C17H16BrN3O2S/c1-22-13-6-4-12(5-7-13)16-19-17(21-20-16)24-10-11-3-8-15(23-2)14(18)9-11/h3-9H,10H2,1-2H3,(H,19,20,21)