3-[5-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[5-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-[(4-bromo-2,5-dimethoxy-benzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]pyridine Formula: C22H19BrN4O2S MolecularWeight: 483.38086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4)OC)Br

InChI

InChI=1S/C22H19BrN4O2S/c1-28-19-12-18(23)20(29-2)11-16(19)14-30-22-26-25-21(15-7-6-10-24-13-15)27(22)17-8-4-3-5-9-17/h3-13H,14H2,1-2H3