2-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-6-oxidanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

Systemtic Name: 2-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-6-oxidanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile Openeye Name: 2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile CAS Name: 2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile IUPAC Name: 2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile Traditional Name: 6-keto-2-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile Formula: C17H12F3N4O2S+ MolecularWeight: 393.36299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=C(C(=CC(=O)N3)C(F)(F)F)C#N

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=C(C(=CC(=O)N3)C(F)(F)F)C#N

InChI

InChI=1S/C17H11F3N4O2S/c1-9-2-3-13-22-10(4-15(26)24(13)7-9)8-27-16-11(6-21)12(17(18,19)20)5-14(25)23-16/h2-5,7H,8H2,1H3,(H,23,25)/p+1