4-nitro-N-[(E)-(4-oxidanylidene-2-pyridin-2-ylsulfanyl-pyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide

Systemtic Name: 4-nitro-N-[(E)-(4-oxidanylidene-2-pyridin-2-ylsulfanyl-pyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide Openeye Name: 4-nitro-N-[(E)-[4-oxo-2-(2-pyridylsulfanyl)pyrido[1,2-a]pyrimidin-3-yl]methyleneamino]benzamide CAS Name: 4-nitro-N-[(E)-[4-oxo-2-(2-pyridinylthio)-3-pyrido[1,2-a]pyrimidinyl]methylideneamino]benzamide IUPAC Name: 4-nitro-N-[(E)-(4-oxo-2-pyridin-2-ylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylideneamino]benzamide Traditional Name: N-[(E)-[4-keto-2-(2-pyridylthio)pyrido[1,2-a]pyrimidin-3-yl]methyleneamino]-4-nitro-benzamide Formula: C21H14N6O4S MolecularWeight: 446.43866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SC2=C(C(=O)N3C=CC=CC3=N2)C=NNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)SC2=C(C(=O)N3C=CC=CC3=N2)/C=N/NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N6O4S/c28-19(14-7-9-15(10-8-14)27(30)31)25-23-13-16-20(32-18-6-1-3-11-22-18)24-17-5-2-4-12-26(17)21(16)29/h1-13H,(H,25,28)/b23-13+