2-[(E)-(azanylcarbamothioylhydrazinylidene)methyl]quinoline-4-carboxylic acid hydrate

Systemtic Name: 2-[(E)-(azanylcarbamothioylhydrazinylidene)methyl]quinoline-4-carboxylic acid hydrate Openeye Name: 2-[(E)-(aminocarbamothioylhydrazono)methyl]quinoline-4-carboxylic acid hydrate CAS Name: 2-[(E)-[[hydrazinyl(sulfanylidene)methyl]hydrazinylidene]methyl]-4-quinolinecarboxylic acid hydrate IUPAC Name: 2-[(E)-(aminocarbamothioylhydrazinylidene)methyl]quinoline-4-carboxylic acid hydrate Traditional Name: 2-[(E)-(aminothiocarbamoylhydrazono)methyl]cinchoninic acid hydrate Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C=NNC(=S)NN)C(=O)O.O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)/C=N/NC(=S)NN)C(=O)O.O

InChI

InChI=1S/C12H11N5O2S.H2O/c13-16-12(20)17-14-6-7-5-9(11(18)19)8-3-1-2-4-10(8)15-7;/h1-6H,13H2,(H,18,19)(H2,16,17,20);1H2/b14-6+;