3-(2-ethylsulfanylethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridazine-5-carboxylic acid

Systemtic Name: 3-(2-ethylsulfanylethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridazine-5-carboxylic acid Openeye Name: 3-(2-ethylsulfanylethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridazine-5-carboxylic acid CAS Name: 3-[2-(ethylthio)ethyl]-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridazine-5-carboxylic acid IUPAC Name: 3-(2-ethylsulfanylethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridazine-5-carboxylic acid Traditional Name: 3-[2-(ethylthio)ethyl]-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridazine-5-carboxylic acid Formula: C17H19F3N2O2S MolecularWeight: 372.40517

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC1=NNC(=C(C1C2=CC=CC=C2C(F)(F)F)C(=O)O)C

Isomeric SMILES

CCSCCC1=NNC(=C(C1C2=CC=CC=C2C(F)(F)F)C(=O)O)C

InChI

InChI=1S/C17H19F3N2O2S/c1-3-25-9-8-13-15(14(16(23)24)10(2)21-22-13)11-6-4-5-7-12(11)17(18,19)20/h4-7,15,21H,3,8-9H2,1-2H3,(H,23,24)