1-[(E)-(carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid

Systemtic Name: 1-[(E)-(carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid Openeye Name: 1-[(E)-(carbamothioylhydrazono)methyl]isoquinoline-5-carboxylic acid CAS Name: 1-[(E)-(carbamothioylhydrazinylidene)methyl]-5-isoquinolinecarboxylic acid IUPAC Name: 1-[(E)-(carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid Traditional Name: 1-[(E)-(thiocarbamoylhydrazono)methyl]isoquinoline-5-carboxylic acid Formula: C12H10N4O2S MolecularWeight: 274.2984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC2=C(C=CN=C2/C=N/NC(=S)N)C(=C1)C(=O)O

InChI

InChI=1S/C12H10N4O2S/c13-12(19)16-15-6-10-8-2-1-3-9(11(17)18)7(8)4-5-14-10/h1-6H,(H,17,18)(H3,13,16,19)/b15-6+