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

Systemtic Name: 4-phenyl-6-(prop-2-enylamino)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile Openeye Name: 4-(allylamino)-6-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile CAS Name: 4-phenyl-6-(prop-2-enylamino)-2-[[3-(trifluoromethyl)phenyl]methylthio]-5-pyrimidinecarbonitrile IUPAC Name: 4-phenyl-6-(prop-2-enylamino)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine-5-carbonitrile Traditional Name: 4-(allylamino)-6-phenyl-2-[[3-(trifluoromethyl)benzyl]thio]pyrimidine-5-carbonitrile Formula: C22H17F3N4S MolecularWeight: 426.45739

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C=CCNC1=NC(=NC(=C1C#N)C2=CC=CC=C2)SCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H17F3N4S/c1-2-11-27-20-18(13-26)19(16-8-4-3-5-9-16)28-21(29-20)30-14-15-7-6-10-17(12-15)22(23,24)25/h2-10,12H,1,11,14H2,(H,27,28,29)