[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[methyl-[(1-phenyl-4-pyrazolyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-keto-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethyl] ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)COC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)COC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C20H20N4O3S/c1-23(12-15-11-22-24(13-15)16-7-4-3-5-8-16)18(25)14-27-20(26)17-9-6-10-21-19(17)28-2/h3-11,13H,12,14H2,1-2H3