ethyl 3-isoquinolin-1-yl-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate

Systemtic Name: ethyl 3-isoquinolin-1-yl-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate Openeye Name: ethyl 3-(1-isoquinolyl)-5-thioxo-1,2-dihydropyrazole-4-carboxylate CAS Name: 3-(1-isoquinolinyl)-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-isoquinolin-1-yl-5-sulfanylidene-1,2-dihydropyrazole-4-carboxylate Traditional Name: 3-(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=C(NNC1=S)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(NNC1=S)C2=NC=CC3=CC=CC=C32

InChI

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