N'-[(4-oxidanylidene-2-phenylsulfanyl-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)methyl]benzohydrazide

Systemtic Name: N'-[(4-oxidanylidene-2-phenylsulfanyl-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)methyl]benzohydrazide Openeye Name: N'-[(4-oxo-2-phenylsulfanyl-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)methyl]benzohydrazide CAS Name: N'-[[4-oxo-2-(phenylthio)-3-pyrido[1,2-a]pyrimidin-5-iumylidene]methyl]benzohydrazide IUPAC Name: N'-[(4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-5-ium-3-ylidene)methyl]benzohydrazide Traditional Name: N'-[[4-keto-2-(phenylthio)pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methyl]benzohydrazide Formula: C22H17N4O2S+ MolecularWeight: 401.46098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NNC=C2C(=NC3=CC=CC=[N+]3C2=O)SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NNC=C2C(=NC3=CC=CC=[N+]3C2=O)SC4=CC=CC=C4

InChI

InChI=1S/C22H16N4O2S/c27-20(16-9-3-1-4-10-16)25-23-15-18-21(29-17-11-5-2-6-12-17)24-19-13-7-8-14-26(19)22(18)28/h1-15H,(H,25,27)/p+1