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

Systemtic Name: 4-chloranyl-2-[(Z)-[(2,6-dimethylphenyl)carbamothioylhydrazinylidene]methyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[(Z)-[(2,6-dimethylphenyl)carbamothioylhydrazono]methyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[(Z)-[[(2,6-dimethylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[(Z)-[(2,6-dimethylphenyl)carbamothioylhydrazinylidene]methyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[(Z)-[(2,6-dimethylphenyl)thiocarbamoylhydrazono]methyl]-6-nitro-phenolate Formula: C16H14ClN4O3S- MolecularWeight: 377.82536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4O3S/c1-9-4-3-5-10(2)14(9)19-16(25)20-18-8-11-6-12(17)7-13(15(11)22)21(23)24/h3-8,22H,1-2H3,(H2,19,20,25)/p-1/b18-8-