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

Systemtic Name: ethyl 4-[2-oxidanyl-3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O4S/c1-2-32-24(31)19-8-10-22(11-9-19)33-16-21(30)17-34-25-28-27-23(18-12-14-26-15-13-18)29(25)20-6-4-3-5-7-20/h3-15,21,30H,2,16-17H2,1H3