6-methyl-2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-methyl-2-[(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-methyl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-methyl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-methyl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-6-methyl-4-(trifluoromethyl)nicotinonitrile Formula: C21H13F3N4OS2 MolecularWeight: 458.47933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C21H13F3N4OS2/c1-11-7-15(21(22,23)24)13(8-25)19(26-11)31-10-16-27-18(29)17-14(9-30-20(17)28-16)12-5-3-2-4-6-12/h2-7,9H,10H2,1H3,(H,27,28,29)