ethyl 2-isoquinolin-1-yl-3-sulfanylidene-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 2-isoquinolin-1-yl-3-sulfanylidene-1H-pyrazole-4-carboxylate Openeye Name: ethyl 2-(1-isoquinolyl)-3-thioxo-1H-pyrazole-4-carboxylate CAS Name: 2-(1-isoquinolinyl)-3-sulfanylidene-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-isoquinolin-1-yl-3-sulfanylidene-1H-pyrazole-4-carboxylate Traditional Name: 1-(1-isoquinolyl)-5-thioxo-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNN(C1=S)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=CNN(C1=S)C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C15H13N3O2S/c1-2-20-15(19)12-9-17-18(14(12)21)13-11-6-4-3-5-10(11)7-8-16-13/h3-9,17H,2H2,1H3