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

Systemtic Name: N'-[(4-oxidanylidene-2-pyridin-2-ylsulfanyl-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)methyl]benzohydrazide Openeye Name: N'-[[4-oxo-2-(2-pyridylsulfanyl)pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methyl]benzohydrazide CAS Name: N'-[[4-oxo-2-(2-pyridinylthio)-3-pyrido[1,2-a]pyrimidin-5-iumylidene]methyl]benzohydrazide IUPAC Name: N'-[(4-oxo-2-pyridin-2-ylsulfanylpyrido[1,2-a]pyrimidin-5-ium-3-ylidene)methyl]benzohydrazide Traditional Name: N'-[[4-keto-2-(2-pyridylthio)pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methyl]benzohydrazide Formula: C21H16N5O2S+ MolecularWeight: 402.44904

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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=N4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NNC=C2C(=NC3=CC=CC=[N+]3C2=O)SC4=CC=CC=N4

InChI

InChI=1S/C21H15N5O2S/c27-19(15-8-2-1-3-9-15)25-23-14-16-20(29-18-11-4-6-12-22-18)24-17-10-5-7-13-26(17)21(16)28/h1-14H,(H,25,27)/p+1