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

Systemtic Name: 4-nitro-6-[(Z)-[(phenylmethyl)carbamothioylhydrazinylidene]methyl]benzene-1,3-diolate Openeye Name: 4-[(Z)-(benzylcarbamothioylhydrazono)methyl]-6-nitro-benzene-1,3-diolate CAS Name: 4-nitro-6-[(Z)-[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazinylidene]methyl]benzene-1,3-diolate IUPAC Name: 4-[(Z)-(benzylcarbamothioylhydrazinylidene)methyl]-6-nitrobenzene-1,3-diolate Traditional Name: 4-[(Z)-(benzylthiocarbamoylhydrazono)methyl]-6-nitro-benzene-1,3-diolate Formula: C15H12N4O4S-2 MolecularWeight: 344.34518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)N/N=C\C2=CC(=C(C=C2[O-])[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O4S/c20-13-7-14(21)12(19(22)23)6-11(13)9-17-18-15(24)16-8-10-4-2-1-3-5-10/h1-7,9,20-21H,8H2,(H2,16,18,24)/p-2/b17-9-