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

Systemtic Name: methyl 4-[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyloxy]benzoate Openeye Name: methyl 4-[2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]oxybenzoate CAS Name: 4-[1-oxo-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]oxybenzoate Traditional Name: 4-[2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]oxybenzoic acid methyl ester Formula: C23H18N4O4S MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C23H18N4O4S/c1-30-22(29)16-9-11-19(12-10-16)31-20(28)15-32-23-26-25-21(17-6-5-13-24-14-17)27(23)18-7-3-2-4-8-18/h2-14H,15H2,1H3