3-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]benzonitrile CAS Name: 3-[[(7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]methyl]benzonitrile IUPAC Name: 3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]benzonitrile Traditional Name: 3-[[(4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methylthio]methyl]benzonitrile Formula: C18H15N3OS MolecularWeight: 321.3962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CSCC3=CC=CC(=C3)C#N)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSCC3=CC=CC(=C3)C#N)C=C1

InChI

InChI=1S/C18H15N3OS/c1-13-5-6-17-20-16(8-18(22)21(17)10-13)12-23-11-15-4-2-3-14(7-15)9-19/h2-8,10H,11-12H2,1H3