methyl 4-[2-oxidanyl-3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate

Systemtic Name: methyl 4-[2-oxidanyl-3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Openeye Name: methyl 4-[2-hydroxy-3-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propoxy]benzoate CAS Name: 4-[2-hydroxy-3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-hydroxy-3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propoxy]benzoic acid methyl ester Formula: C24H22N4O4S MolecularWeight: 462.52088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4)O

InChI

InChI=1S/C24H22N4O4S/c1-31-23(30)18-7-9-21(10-8-18)32-15-20(29)16-33-24-27-26-22(17-11-13-25-14-12-17)28(24)19-5-3-2-4-6-19/h2-14,20,29H,15-16H2,1H3