4-[2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]ethoxy]benzonitrile IUPAC Name: 4-[2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]ethoxy]benzonitrile Traditional Name: 4-[2-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]ethoxy]benzonitrile Formula: C18H14BrN3O2S MolecularWeight: 416.29166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OCCSCC2=CC(=O)N3C=C(C=CC3=N2)Br

Isomeric SMILES

C1=CC(=CC=C1C#N)OCCSCC2=CC(=O)N3C=C(C=CC3=N2)Br

InChI

InChI=1S/C18H14BrN3O2S/c19-14-3-6-17-21-15(9-18(23)22(17)11-14)12-25-8-7-24-16-4-1-13(10-20)2-5-16/h1-6,9,11H,7-8,12H2