4-(diethylamino)-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile

Systemtic Name: 4-(diethylamino)-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-(diethylamino)-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-(diethylamino)-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-(diethylamino)-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-(diethylamino)-6-phenyl-2-[[3-(trifluoromethyl)benzyl]thio]pyrimidine-5-carbonitrile Formula: C23H21F3N4S MolecularWeight: 442.49985

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCN(CC)C1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C23H21F3N4S/c1-3-30(4-2)21-19(14-27)20(17-10-6-5-7-11-17)28-22(29-21)31-15-16-9-8-12-18(13-16)23(24,25)26/h5-13H,3-4,15H2,1-2H3