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

Systemtic Name: 3-nitro-N'-[(4-oxidanylidene-2-phenylsulfanyl-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)methyl]benzohydrazide Openeye Name: 3-nitro-N'-[(4-oxo-2-phenylsulfanyl-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)methyl]benzohydrazide CAS Name: 3-nitro-N'-[[4-oxo-2-(phenylthio)-3-pyrido[1,2-a]pyrimidin-5-iumylidene]methyl]benzohydrazide IUPAC Name: 3-nitro-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]-3-nitro-benzohydrazide Formula: C22H16N5O4S+ MolecularWeight: 446.45854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NC3=CC=CC=[N+]3C(=O)C2=CNNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=NC3=CC=CC=[N+]3C(=O)C2=CNNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15N5O4S/c28-20(15-7-6-8-16(13-15)27(30)31)25-23-14-18-21(32-17-9-2-1-3-10-17)24-19-11-4-5-12-26(19)22(18)29/h1-14H,(H,25,28)/p+1