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

Systemtic Name: 3-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-5-(4-methoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(4-bromo-2,5-dimethoxy-benzyl)thio]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=C(C=C3OC)Br)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC(=C(C=C3OC)Br)OC

InChI

InChI=1S/C18H18BrN3O3S/c1-23-13-6-4-11(5-7-13)17-20-18(22-21-17)26-10-12-8-16(25-3)14(19)9-15(12)24-2/h4-9H,10H2,1-3H3,(H,20,21,22)