7-methyl-4-oxidanylidene-2-phenylsulfanyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonitrile

Systemtic Name: 7-methyl-4-oxidanylidene-2-phenylsulfanyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonitrile Openeye Name: 7-methyl-4-oxo-2-phenylsulfanyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonitrile CAS Name: 7-methyl-4-oxo-2-(phenylthio)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonitrile IUPAC Name: 7-methyl-4-oxo-2-phenylsulfanyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonitrile Traditional Name: 4-keto-7-methyl-2-(phenylthio)-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbonitrile Formula: C16H12N3OS+ MolecularWeight: 294.35098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=C(C2=O)C#N)SC3=CC=CC=C3

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=C(C2=O)C#N)SC3=CC=CC=C3

InChI

InChI=1S/C16H11N3OS/c1-11-7-8-14-18-15(21-12-5-3-2-4-6-12)13(9-17)16(20)19(14)10-11/h2-8,10H,1H3/p+1