2-[(Z)-(1,3-benzodioxol-5-ylmethylcarbamothioylhydrazinylidene)methyl]-4-chloranyl-6-nitro-phenolate

Systemtic Name: 2-[(Z)-(1,3-benzodioxol-5-ylmethylcarbamothioylhydrazinylidene)methyl]-4-chloranyl-6-nitro-phenolate Openeye Name: 2-[(Z)-(1,3-benzodioxol-5-ylmethylcarbamothioylhydrazono)methyl]-4-chloro-6-nitro-phenolate CAS Name: 2-[(Z)-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-4-chloro-6-nitrophenolate IUPAC Name: 2-[(Z)-(1,3-benzodioxol-5-ylmethylcarbamothioylhydrazinylidene)methyl]-4-chloro-6-nitrophenolate Traditional Name: 4-chloro-2-nitro-6-[(Z)-(piperonylthiocarbamoylhydrazono)methyl]phenolate Formula: C16H12ClN4O5S- MolecularWeight: 407.80828

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NN=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)N/N=C\C3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C16H13ClN4O5S/c17-11-4-10(15(22)12(5-11)21(23)24)7-19-20-16(27)18-6-9-1-2-13-14(3-9)26-8-25-13/h1-5,7,22H,6,8H2,(H2,18,20,27)/p-1/b19-7-