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

Systemtic Name: 2-[(E)-(carbamothioylhydrazinylidene)methyl]quinoline-4-carboxylic acid hydrate Openeye Name: 2-[(E)-(carbamothioylhydrazono)methyl]quinoline-4-carboxylic acid hydrate CAS Name: 2-[(E)-(carbamothioylhydrazinylidene)methyl]-4-quinolinecarboxylic acid hydrate IUPAC Name: 2-[(E)-(carbamothioylhydrazinylidene)methyl]quinoline-4-carboxylic acid hydrate Traditional Name: 2-[(E)-(thiocarbamoylhydrazono)methyl]cinchoninic acid hydrate Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N4O2S.H2O/c13-12(19)16-14-6-7-5-9(11(17)18)8-3-1-2-4-10(8)15-7;/h1-6H,(H,17,18)(H3,13,16,19);1H2/b14-6+;