2-[[6-oxidanylidene-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[6-oxidanylidene-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[1-allyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[6-oxo-1-prop-2-enyl-4-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[6-oxo-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[1-allyl-6-keto-4-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C16H12F3N3OS MolecularWeight: 351.34619

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C=C(N=C1SCC2=CC=CC=C2C#N)C(F)(F)F

Isomeric SMILES

C=CCN1C(=O)C=C(N=C1SCC2=CC=CC=C2C#N)C(F)(F)F

InChI

InChI=1S/C16H12F3N3OS/c1-2-7-22-14(23)8-13(16(17,18)19)21-15(22)24-10-12-6-4-3-5-11(12)9-20/h2-6,8H,1,7,10H2