ethyl 1-(3-fluorophenyl)-5-[3-[(2-methylsulfanylpyridin-3-yl)carbonylamino]phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(3-fluorophenyl)-5-[3-[(2-methylsulfanylpyridin-3-yl)carbonylamino]phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-(3-fluorophenyl)-5-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]pyrazole-3-carboxylate CAS Name: 1-(3-fluorophenyl)-5-[3-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-fluorophenyl)-5-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]pyrazole-3-carboxylate Traditional Name: 1-(3-fluorophenyl)-5-[3-[[2-(methylthio)nicotinoyl]amino]phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C25H21FN4O3S MolecularWeight: 476.522643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC(=CC=C2)NC(=O)C3=C(N=CC=C3)SC)C4=CC(=CC=C4)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC(=CC=C2)NC(=O)C3=C(N=CC=C3)SC)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H21FN4O3S/c1-3-33-25(32)21-15-22(30(29-21)19-10-5-8-17(26)14-19)16-7-4-9-18(13-16)28-23(31)20-11-6-12-27-24(20)34-2/h4-15H,3H2,1-2H3,(H,28,31)