2-methoxy-4-[(Z)-[(4-methoxyphenyl)methylcarbamothioylhydrazinylidene]methyl]-6-nitro-phenolate

Systemtic Name: 2-methoxy-4-[(Z)-[(4-methoxyphenyl)methylcarbamothioylhydrazinylidene]methyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(Z)-[(4-methoxyphenyl)methylcarbamothioylhydrazono]methyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(Z)-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]hydrazinylidene]methyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(Z)-[(4-methoxyphenyl)methylcarbamothioylhydrazinylidene]methyl]-6-nitrophenolate Traditional Name: 2-methoxy-6-nitro-4-[(Z)-(p-anisylthiocarbamoylhydrazono)methyl]phenolate Formula: C17H17N4O5S- MolecularWeight: 389.40568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)NN=CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N/N=C\C2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O5S/c1-25-13-5-3-11(4-6-13)9-18-17(27)20-19-10-12-7-14(21(23)24)16(22)15(8-12)26-2/h3-8,10,22H,9H2,1-2H3,(H2,18,20,27)/p-1/b19-10-