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

Systemtic Name: methyl 3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-(4-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C(=O)OC)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC(=C3)C(=O)OC)C4=CC=NC=C4

InChI

InChI=1S/C23H20N4O3S/c1-29-20-8-6-19(7-9-20)27-21(17-10-12-24-13-11-17)25-26-23(27)31-15-16-4-3-5-18(14-16)22(28)30-2/h3-14H,15H2,1-2H3