8-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline

Systemtic Name: 8-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Openeye Name: 8-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline CAS Name: 8-[[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]quinoline IUPAC Name: 8-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline Traditional Name: 8-[[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]quinoline Formula: C24H19N5OS MolecularWeight: 425.50556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC4=C3N=CC=C4)C5=CC=NC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC4=C3N=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C24H19N5OS/c1-30-21-9-7-20(8-10-21)29-23(18-11-14-25-15-12-18)27-28-24(29)31-16-19-5-2-4-17-6-3-13-26-22(17)19/h2-15H,16H2,1H3