methyl 2-methylsulfanyl-4-[[2-phenylazanyl-5-(trifluoromethyl)pyridin-4-yl]amino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-methylsulfanyl-4-[[2-phenylazanyl-5-(trifluoromethyl)pyridin-4-yl]amino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 4-[[2-anilino-5-(trifluoromethyl)-4-pyridyl]amino]-2-methylsulfanyl-thiazole-5-carboxylate CAS Name: 4-[[2-anilino-5-(trifluoromethyl)-4-pyridinyl]amino]-2-(methylthio)-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[[2-anilino-5-(trifluoromethyl)pyridin-4-yl]amino]-2-methylsulfanyl-1,3-thiazole-5-carboxylate Traditional Name: 4-[[2-anilino-5-(trifluoromethyl)-4-pyridyl]amino]-2-(methylthio)thiazole-5-carboxylic acid methyl ester Formula: C18H15F3N4O2S2 MolecularWeight: 440.46251

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(S1)SC)NC2=CC(=NC=C2C(F)(F)F)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(N=C(S1)SC)NC2=CC(=NC=C2C(F)(F)F)NC3=CC=CC=C3

InChI

InChI=1S/C18H15F3N4O2S2/c1-27-16(26)14-15(25-17(28-2)29-14)24-12-8-13(22-9-11(12)18(19,20)21)23-10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,22,23,24)