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

Systemtic Name: 4-chloranyl-2-[(Z)-[(4-ethoxyphenyl)carbamothioylhydrazinylidene]methyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[(Z)-[(4-ethoxyphenyl)carbamothioylhydrazono]methyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[(Z)-[[(4-ethoxyanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[(Z)-[(4-ethoxyphenyl)carbamothioylhydrazinylidene]methyl]-6-nitrophenolate Traditional Name: 4-chloro-2-nitro-6-[(Z)-(p-phenetylthiocarbamoylhydrazono)methyl]phenolate Formula: C16H14ClN4O4S- MolecularWeight: 393.82476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N/N=C\C2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN4O4S/c1-2-25-13-5-3-12(4-6-13)19-16(26)20-18-9-10-7-11(17)8-14(15(10)22)21(23)24/h3-9,22H,2H2,1H3,(H2,19,20,26)/p-1/b18-9-