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

Systemtic Name: 2-[(Z)-(butylcarbamothioylhydrazinylidene)methyl]-4-chloranyl-6-nitro-phenolate Openeye Name: 2-[(Z)-(butylcarbamothioylhydrazono)methyl]-4-chloro-6-nitro-phenolate CAS Name: 2-[(Z)-[[butylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-4-chloro-6-nitrophenolate IUPAC Name: 2-[(Z)-(butylcarbamothioylhydrazinylidene)methyl]-4-chloro-6-nitrophenolate Traditional Name: 2-[(Z)-(butylthiocarbamoylhydrazono)methyl]-4-chloro-6-nitro-phenolate Formula: C12H14ClN4O3S- MolecularWeight: 329.78256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN4O3S/c1-2-3-4-14-12(21)16-15-7-8-5-9(13)6-10(11(8)18)17(19)20/h5-7,18H,2-4H2,1H3,(H2,14,16,21)/p-1/b15-7-