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

Systemtic Name: methyl 3-[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C23H19N5O3S MolecularWeight: 445.49366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N5O3S/c1-31-22(30)16-7-5-9-18(13-16)25-20(29)15-32-23-27-26-21(17-8-6-12-24-14-17)28(23)19-10-3-2-4-11-19/h2-14H,15H2,1H3,(H,25,29)