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

Systemtic Name: 4-[(Z)-(butylcarbamothioylhydrazinylidene)methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(Z)-(butylcarbamothioylhydrazono)methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(Z)-[[butylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(Z)-(butylcarbamothioylhydrazinylidene)methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(Z)-(butylthiocarbamoylhydrazono)methyl]-2-methoxy-6-nitro-phenolate Formula: C13H17N4O4S- MolecularWeight: 325.36348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O4S/c1-3-4-5-14-13(22)16-15-8-9-6-10(17(19)20)12(18)11(7-9)21-2/h6-8,18H,3-5H2,1-2H3,(H2,14,16,22)/p-1/b15-8-