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

Systemtic Name: 4-[4-(4-methoxyphenyl)-5-(3-phenoxypropylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-(4-methoxyphenyl)-5-(3-phenoxypropylsulfanyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-(4-methoxyphenyl)-5-(3-phenoxypropylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-(4-methoxyphenyl)-5-(3-phenoxypropylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-(4-methoxyphenyl)-5-(3-phenoxypropylthio)-1,2,4-triazol-3-yl]pyridine Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCCCOC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCCCOC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H22N4O2S/c1-28-20-10-8-19(9-11-20)27-22(18-12-14-24-15-13-18)25-26-23(27)30-17-5-16-29-21-6-3-2-4-7-21/h2-4,6-15H,5,16-17H2,1H3