methyl 2-[2-(1H-indazol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: methyl 2-[2-(1H-indazol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: methyl 2-[2-(1H-indazol-3-yl)-2-oxo-ethyl]sulfanyl-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 2-[[2-(1H-indazol-3-yl)-2-oxoethyl]thio]-4-methyl-6-(trifluoromethyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(1H-indazol-3-yl)-2-oxoethyl]sulfanyl-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 2-[[2-(1H-indazol-3-yl)-2-keto-ethyl]thio]-4-methyl-6-(trifluoromethyl)nicotinic acid methyl ester Formula: C18H14F3N3O3S MolecularWeight: 409.38227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OC)SCC(=O)C2=NNC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OC)SCC(=O)C2=NNC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C18H14F3N3O3S/c1-9-7-13(18(19,20)21)22-16(14(9)17(26)27-2)28-8-12(25)15-10-5-3-4-6-11(10)23-24-15/h3-7H,8H2,1-2H3,(H,23,24)