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

Systemtic Name: 4-[4-(4-methoxyphenyl)-5-(3-phenylpropylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-(4-methoxyphenyl)-5-(3-phenylpropylsulfanyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-(4-methoxyphenyl)-5-(3-phenylpropylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-(4-methoxyphenyl)-5-(3-phenylpropylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-(4-methoxyphenyl)-5-(3-phenylpropylthio)-1,2,4-triazol-3-yl]pyridine Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCCCC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCCCC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H22N4OS/c1-28-21-11-9-20(10-12-21)27-22(19-13-15-24-16-14-19)25-26-23(27)29-17-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-16H,5,8,17H2,1H3