5-nitro-1,4-bis(oxidanylidene)-3H-phthalazine-2-carbothioamide

Systemtic Name: 5-nitro-1,4-bis(oxidanylidene)-3H-phthalazine-2-carbothioamide Openeye Name: 5-nitro-1,4-dioxo-3H-phthalazine-2-carbothioamide CAS Name: 5-nitro-1,4-dioxo-3H-phthalazine-2-carbothioamide IUPAC Name: 5-nitro-1,4-dioxo-3H-phthalazine-2-carbothioamide Traditional Name: 1,4-diketo-5-nitro-3H-phthalazine-2-carbothioamide Formula: C9H6N4O4S MolecularWeight: 266.23334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)NN(C2=O)C(=S)N

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)NN(C2=O)C(=S)N

InChI

InChI=1S/C9H6N4O4S/c10-9(18)12-8(15)4-2-1-3-5(13(16)17)6(4)7(14)11-12/h1-3H,(H2,10,18)(H,11,14)