4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-nitro-benzene-1,3-diolate

Systemtic Name: 4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-nitro-benzene-1,3-diolate Openeye Name: 4-[(E)-(carbamothioylhydrazono)methyl]-6-nitro-benzene-1,3-diolate CAS Name: 4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-nitrobenzene-1,3-diolate IUPAC Name: 4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-nitrobenzene-1,3-diolate Traditional Name: 4-nitro-6-[(E)-(thiocarbamoylhydrazono)methyl]benzene-1,3-diolate Formula: C8H6N4O4S-2 MolecularWeight: 254.22264

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1[N+](=O)[O-])[O-])[O-])C=NNC(=S)N

Isomeric SMILES

C1=C(C(=CC(=C1[N+](=O)[O-])[O-])[O-])/C=N/NC(=S)N

InChI

InChI=1S/C8H8N4O4S/c9-8(17)11-10-3-4-1-5(12(15)16)7(14)2-6(4)13/h1-3,13-14H,(H3,9,11,17)/p-2/b10-3+