2-[4-(4-methoxyphenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 2-[4-(4-methoxyphenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 2-[5-cinnamylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 2-[4-(4-methoxyphenyl)-5-(3-phenylprop-2-enylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 2-[4-(4-methoxyphenyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 2-[5-(cinnamylthio)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine Formula: C23H20N4OS MolecularWeight: 400.4961

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC=CC3=CC=CC=C3)C4=CC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC=CC3=CC=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C23H20N4OS/c1-28-20-14-12-19(13-15-20)27-22(21-11-5-6-16-24-21)25-26-23(27)29-17-7-10-18-8-3-2-4-9-18/h2-16H,17H2,1H3