methyl 4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[[4-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]quinoline-3-carboxylic acid methyl ester Formula: C18H14F3N3O2S MolecularWeight: 393.38287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC=CC(=N3)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC=CC(=N3)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C18H14F3N3O2S/c1-10-11-5-3-4-6-12(11)23-13(15(10)16(25)26-2)9-27-17-22-8-7-14(24-17)18(19,20)21/h3-8H,9H2,1-2H3