7-azanyl-5-(4-nitrophenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-8-ium-6-carbonitrile

Systemtic Name: 7-azanyl-5-(4-nitrophenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-8-ium-6-carbonitrile Openeye Name: 7-amino-5-(4-nitrophenyl)-4-oxo-2-thioxo-1H-pyrido[2,3-d]pyrimidin-8-ium-6-carbonitrile CAS Name: 7-amino-5-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-8-ium-6-carbonitrile IUPAC Name: 7-amino-5-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-8-ium-6-carbonitrile Traditional Name: 7-amino-4-keto-5-(4-nitrophenyl)-2-thioxo-1H-pyrido[2,3-d]pyrimidin-8-ium-6-carbonitrile Formula: C14H9N6O3S+ MolecularWeight: 341.32466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=[NH+]C3=C2C(=O)NC(=S)N3)N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=[NH+]C3=C2C(=O)NC(=S)N3)N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H8N6O3S/c15-5-8-9(6-1-3-7(4-2-6)20(22)23)10-12(17-11(8)16)18-14(24)19-13(10)21/h1-4H,(H4,16,17,18,19,21,24)/p+1