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

Systemtic Name: 3-[5-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(3-bromo-4-methoxyphenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-[(3-bromo-4-methoxy-benzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]pyridine Formula: C21H17BrN4OS MolecularWeight: 453.35488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4)Br

InChI

InChI=1S/C21H17BrN4OS/c1-27-19-10-9-15(12-18(19)22)14-28-21-25-24-20(16-6-5-11-23-13-16)26(21)17-7-3-2-4-8-17/h2-13H,14H2,1H3