4-[(Z)-[(2,6-dimethylphenyl)carbamothioylhydrazinylidene]methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(Z)-[(2,6-dimethylphenyl)carbamothioylhydrazinylidene]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(Z)-[(2,6-dimethylphenyl)carbamothioylhydrazono]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(Z)-[[(2,6-dimethylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(Z)-[(2,6-dimethylphenyl)carbamothioylhydrazinylidene]methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(Z)-[(2,6-dimethylphenyl)thiocarbamoylhydrazono]methyl]-2-methoxy-6-nitro-phenolate Formula: C17H17N4O4S- MolecularWeight: 373.40628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NN=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N/N=C\C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4S/c1-10-5-4-6-11(2)15(10)19-17(26)20-18-9-12-7-13(21(23)24)16(22)14(8-12)25-3/h4-9,22H,1-3H3,(H2,19,20,26)/p-1/b18-9-