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

Systemtic Name: 2-[(Z)-(butylcarbamothioylhydrazinylidene)methyl]-4-nitro-phenolate Openeye Name: 2-[(Z)-(butylcarbamothioylhydrazono)methyl]-4-nitro-phenolate CAS Name: 2-[(Z)-[[butylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-4-nitrophenolate IUPAC Name: 2-[(Z)-(butylcarbamothioylhydrazinylidene)methyl]-4-nitrophenolate Traditional Name: 2-[(Z)-(butylthiocarbamoylhydrazono)methyl]-4-nitro-phenolate Formula: C12H15N4O3S- MolecularWeight: 295.3375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O3S/c1-2-3-6-13-12(20)15-14-8-9-7-10(16(18)19)4-5-11(9)17/h4-5,7-8,17H,2-3,6H2,1H3,(H2,13,15,20)/p-1/b14-8-