2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-6-thiophen-2-yl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile Formula: C20H10BrF3N4OS2 MolecularWeight: 523.34881

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC(=O)N4C=C(C=CC4=N3)Br

Isomeric SMILES

C1=CSC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC(=O)N4C=C(C=CC4=N3)Br

InChI

InChI=1S/C20H10BrF3N4OS2/c21-11-3-4-17-26-12(6-18(29)28(17)9-11)10-31-19-13(8-25)14(20(22,23)24)7-15(27-19)16-2-1-5-30-16/h1-7,9H,10H2