2-[(Z)-(3-ethoxypropylcarbamothioylhydrazinylidene)methyl]-4-nitro-phenolate

Systemtic Name: 2-[(Z)-(3-ethoxypropylcarbamothioylhydrazinylidene)methyl]-4-nitro-phenolate Openeye Name: 2-[(Z)-(3-ethoxypropylcarbamothioylhydrazono)methyl]-4-nitro-phenolate CAS Name: 2-[(Z)-[[(3-ethoxypropylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-4-nitrophenolate IUPAC Name: 2-[(Z)-(3-ethoxypropylcarbamothioylhydrazinylidene)methyl]-4-nitrophenolate Traditional Name: 2-[(Z)-(3-ethoxypropylthiocarbamoylhydrazono)methyl]-4-nitro-phenolate Formula: C13H17N4O4S- MolecularWeight: 325.36348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O4S/c1-2-21-7-3-6-14-13(22)16-15-9-10-8-11(17(19)20)4-5-12(10)18/h4-5,8-9,18H,2-3,6-7H2,1H3,(H2,14,16,22)/p-1/b15-9-