2,4-bis(azanyl)-7-nitro-10,10-bis(oxidanylidene)-5H-thiochromeno[2,3-b]pyridine-3-carbonitrile

Systemtic Name: 2,4-bis(azanyl)-7-nitro-10,10-bis(oxidanylidene)-5H-thiochromeno[2,3-b]pyridine-3-carbonitrile Openeye Name: 2,4-diamino-7-nitro-10,10-dioxo-5H-thiochromeno[2,3-b]pyridine-3-carbonitrile CAS Name: 2,4-diamino-7-nitro-10,10-dioxo-5H-thiochromeno[2,3-b]pyridine-3-carbonitrile IUPAC Name: 2,4-diamino-7-nitro-10,10-dioxo-5H-thiochromeno[2,3-b]pyridine-3-carbonitrile Traditional Name: 2,4-diamino-10,10-diketo-7-nitro-5H-thiochromeno[2,3-b]pyridine-3-carbonitrile Formula: C13H9N5O4S MolecularWeight: 331.30666

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)[N+](=O)[O-])S(=O)(=O)C3=C1C(=C(C(=N3)N)C#N)N

Isomeric SMILES

C1C2=C(C=CC(=C2)[N+](=O)[O-])S(=O)(=O)C3=C1C(=C(C(=N3)N)C#N)N

InChI

InChI=1S/C13H9N5O4S/c14-5-9-11(15)8-4-6-3-7(18(19)20)1-2-10(6)23(21,22)13(8)17-12(9)16/h1-3H,4H2,(H4,15,16,17)