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

Systemtic Name: 3-nitro-N'-[(4-oxidanylidene-2-pyridin-2-ylsulfanyl-pyrido[1,2-a]pyrimidin-5-ium-3-ylidene)methyl]benzohydrazide Openeye Name: 3-nitro-N'-[[4-oxo-2-(2-pyridylsulfanyl)pyrido[1,2-a]pyrimidin-5-ium-3-ylidene]methyl]benzohydrazide CAS Name: 3-nitro-N'-[[4-oxo-2-(2-pyridinylthio)-3-pyrido[1,2-a]pyrimidin-5-iumylidene]methyl]benzohydrazide IUPAC Name: 3-nitro-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]-3-nitro-benzohydrazide Formula: C21H15N6O4S+ MolecularWeight: 447.4466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N6O4S/c28-19(14-6-5-7-15(12-14)27(30)31)25-23-13-16-20(32-18-9-1-3-10-22-18)24-17-8-2-4-11-26(17)21(16)29/h1-13H,(H,25,28)/p+1