2-nitro-4-(5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 2-nitro-4-(5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2-nitro-4-(5-thioxo-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2-nitro-4-(5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2-nitro-4-(5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2-nitro-4-(5-thioxo-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one Formula: C8H6N4O3S MolecularWeight: 238.22324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C(=CC1=C2NC(=S)NN2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=O)C(=CC1=C2NC(=S)NN2)[N+](=O)[O-]

InChI

InChI=1S/C8H6N4O3S/c13-6-2-1-4(3-5(6)12(14)15)7-9-8(16)11-10-7/h1-3,10H,(H2,9,11,16)