ethyl 5-(ethylcarbamothioylamino)-1-quinolin-2-yl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-(ethylcarbamothioylamino)-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-(ethylcarbamothioylamino)-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[ethylamino(sulfanylidene)methyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(ethylcarbamothioylamino)-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-(ethylthiocarbamoylamino)-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NC1=C(C=NN1C2=NC3=CC=CC=C3C=C2)C(=O)OCC

Isomeric SMILES

CCNC(=S)NC1=C(C=NN1C2=NC3=CC=CC=C3C=C2)C(=O)OCC

InChI

InChI=1S/C18H19N5O2S/c1-3-19-18(26)22-16-13(17(24)25-4-2)11-20-23(16)15-10-9-12-7-5-6-8-14(12)21-15/h5-11H,3-4H2,1-2H3,(H2,19,22,26)