2-(2-diethylaminoethylsulfanyl)-5-oxidanylidene-4-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbonitrile; ethanedioic acid

Systemtic Name: 2-(2-diethylaminoethylsulfanyl)-5-oxidanylidene-4-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbonitrile; ethanedioic acid Openeye Name: 2-(2-diethylaminoethylsulfanyl)-5-oxo-4-(3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbonitrile; oxalic acid CAS Name: 2-(2-diethylaminoethylthio)-5-oxo-4-(3-pyridinyl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbonitrile; oxalic acid IUPAC Name: 2-(2-diethylaminoethylsulfanyl)-5-oxo-4-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbonitrile; oxalic acid Traditional Name: 2-(2-diethylaminoethylthio)-5-keto-4-(3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-2-pyrroline-3-carbonitrile; oxalic acid Formula: C25H25F3N4O5S MolecularWeight: 550.55001

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=C(C(C(=O)N1)(C2=CC(=CC=C2)C(F)(F)F)C3=CN=CC=C3)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCSC1=C(C(C(=O)N1)(C2=CC(=CC=C2)C(F)(F)F)C3=CN=CC=C3)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H23F3N4OS.C2H2O4/c1-3-30(4-2)11-12-32-20-19(14-27)22(21(31)29-20,18-9-6-10-28-15-18)16-7-5-8-17(13-16)23(24,25)26;3-1(4)2(5)6/h5-10,13,15H,3-4,11-12H2,1-2H3,(H,29,31);(H,3,4)(H,5,6)