[1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-1-methyl-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [1-oxo-1-[(2-propan-2-yl-3-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S/c1-14(2)25-18(11-13-23-25)24-19(26)15(3)28-21(27)17-10-7-12-22-20(17)29-16-8-5-4-6-9-16/h4-15H,1-3H3,(H,24,26)