[1-[(E)-(carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] ethanoate

Systemtic Name: [1-[(E)-(carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] ethanoate Openeye Name: [1-[(E)-(carbamothioylhydrazono)methyl]-7-isoquinolyl] acetate CAS Name: acetic acid [1-[(E)-(carbamothioylhydrazinylidene)methyl]-7-isoquinolinyl] ester IUPAC Name: [1-[(E)-(carbamothioylhydrazinylidene)methyl]isoquinolin-7-yl] acetate Traditional Name: acetic acid [1-[(E)-(thiocarbamoylhydrazono)methyl]-7-isoquinolyl] ester Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C=CN=C2C=NNC(=S)N

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C=CN=C2/C=N/NC(=S)N

InChI

InChI=1S/C13H12N4O2S/c1-8(18)19-10-3-2-9-4-5-15-12(11(9)6-10)7-16-17-13(14)20/h2-7H,1H3,(H3,14,17,20)/b16-7+