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

Systemtic Name: ethyl 5-(prop-2-enylcarbamothioylamino)-1-quinolin-2-yl-pyrazole-4-carboxylate Openeye Name: ethyl 5-(allylcarbamothioylamino)-1-(2-quinolyl)pyrazole-4-carboxylate CAS Name: 5-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-1-(2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(prop-2-enylcarbamothioylamino)-1-quinolin-2-ylpyrazole-4-carboxylate Traditional Name: 5-(allylthiocarbamoylamino)-1-(2-quinolyl)pyrazole-4-carboxylic acid ethyl ester Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=S)NCC=C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C=C2)NC(=S)NCC=C

InChI

InChI=1S/C19H19N5O2S/c1-3-11-20-19(27)23-17-14(18(25)26-4-2)12-21-24(17)16-10-9-13-7-5-6-8-15(13)22-16/h3,5-10,12H,1,4,11H2,2H3,(H2,20,23,27)