3-[[6-oxidanylidene-1-propyl-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[6-oxidanylidene-1-propyl-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[6-oxo-1-propyl-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[6-oxo-1-propyl-4-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[6-oxo-1-propyl-4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[6-keto-1-propyl-4-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]benzonitrile Formula: C16H14F3N3OS MolecularWeight: 353.36207

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=C(N=C1SCC2=CC=CC(=C2)C#N)C(F)(F)F

Isomeric SMILES

CCCN1C(=O)C=C(N=C1SCC2=CC=CC(=C2)C#N)C(F)(F)F

InChI

InChI=1S/C16H14F3N3OS/c1-2-6-22-14(23)8-13(16(17,18)19)21-15(22)24-10-12-5-3-4-11(7-12)9-20/h3-5,7-8H,2,6,10H2,1H3