ethyl 1-(4-methylquinolin-2-yl)-5-(phenylcarbamothioylamino)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(4-methylquinolin-2-yl)-5-(phenylcarbamothioylamino)pyrazole-4-carboxylate Openeye Name: ethyl 1-(4-methyl-2-quinolyl)-5-(phenylcarbamothioylamino)pyrazole-4-carboxylate CAS Name: 5-[[anilino(sulfanylidene)methyl]amino]-1-(4-methyl-2-quinolinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methylquinolin-2-yl)-5-(phenylcarbamothioylamino)pyrazole-4-carboxylate Traditional Name: 1-(4-methyl-2-quinolyl)-5-(phenylthiocarbamoylamino)pyrazole-4-carboxylic acid ethyl ester Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C(=C2)C)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC3=CC=CC=C3C(=C2)C)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C23H21N5O2S/c1-3-30-22(29)18-14-24-28(20-13-15(2)17-11-7-8-12-19(17)26-20)21(18)27-23(31)25-16-9-5-4-6-10-16/h4-14H,3H2,1-2H3,(H2,25,27,31)