2-(2-diethylaminoethylsulfanyl)-5-oxidanylidene-4-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbonitrile

Systemtic Name: 2-(2-diethylaminoethylsulfanyl)-5-oxidanylidene-4-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbonitrile Openeye Name: 2-(2-diethylaminoethylsulfanyl)-5-oxo-4-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbonitrile CAS Name: 2-(2-diethylaminoethylthio)-5-oxo-4-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbonitrile IUPAC Name: 2-(2-diethylaminoethylsulfanyl)-5-oxo-4-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbonitrile Traditional Name: 2-(2-diethylaminoethylthio)-5-keto-4-phenyl-4-[3-(trifluoromethyl)phenyl]-2-pyrroline-3-carbonitrile Formula: C24H24F3N3OS MolecularWeight: 459.52707

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24F3N3OS/c1-3-30(4-2)13-14-32-21-20(16-28)23(22(31)29-21,17-9-6-5-7-10-17)18-11-8-12-19(15-18)24(25,26)27/h5-12,15H,3-4,13-14H2,1-2H3,(H,29,31)