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

Systemtic Name: 2-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]benzonitrile CAS Name: 2-[[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]methyl]benzonitrile IUPAC Name: 2-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]benzonitrile Traditional Name: 2-[[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]methyl]benzonitrile Formula: C17H12BrN3OS MolecularWeight: 386.26568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCC2=CC(=O)N3C=C(C=CC3=N2)Br)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCC2=CC(=O)N3C=C(C=CC3=N2)Br)C#N

InChI

InChI=1S/C17H12BrN3OS/c18-14-5-6-16-20-15(7-17(22)21(16)9-14)11-23-10-13-4-2-1-3-12(13)8-19/h1-7,9H,10-11H2