ethyl 5-azanyl-1-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-[5,6-diphenyl-2-(trifluoromethyl)-4-pyrimidinyl]-3-(methylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-[5,6-diphenyl-2-(trifluoromethyl)pyrimidin-4-yl]-3-(methylthio)pyrazole-4-carboxylic acid ethyl ester Formula: C24H20F3N5O2S MolecularWeight: 499.50811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SC)C2=NC(=NC(=C2C3=CC=CC=C3)C4=CC=CC=C4)C(F)(F)F)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SC)C2=NC(=NC(=C2C3=CC=CC=C3)C4=CC=CC=C4)C(F)(F)F)N

InChI

InChI=1S/C24H20F3N5O2S/c1-3-34-22(33)17-19(28)32(31-21(17)35-2)20-16(14-10-6-4-7-11-14)18(15-12-8-5-9-13-15)29-23(30-20)24(25,26)27/h4-13H,3,28H2,1-2H3