2-[(E)-(carbamothioylhydrazinylidene)methyl]-7-chloranyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-(carbamothioylhydrazinylidene)methyl]-7-chloranyl-quinoline-4-carboxylic acid Openeye Name: 2-[(E)-(carbamothioylhydrazono)methyl]-7-chloro-quinoline-4-carboxylic acid CAS Name: 2-[(E)-(carbamothioylhydrazinylidene)methyl]-7-chloro-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-(carbamothioylhydrazinylidene)methyl]-7-chloroquinoline-4-carboxylic acid Traditional Name: 7-chloro-2-[(E)-(thiocarbamoylhydrazono)methyl]cinchoninic acid Formula: C12H9ClN4O2S MolecularWeight: 308.74346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=C(C=C2C(=O)O)C=NNC(=S)N

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=C(C=C2C(=O)O)/C=N/NC(=S)N

InChI

InChI=1S/C12H9ClN4O2S/c13-6-1-2-8-9(11(18)19)4-7(16-10(8)3-6)5-15-17-12(14)20/h1-5H,(H,18,19)(H3,14,17,20)/b15-5+