ethyl 1-phenyl-5-(propylcarbamothioylamino)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-phenyl-5-(propylcarbamothioylamino)pyrazole-4-carboxylate Openeye Name: ethyl 1-phenyl-5-(propylcarbamothioylamino)pyrazole-4-carboxylate CAS Name: 1-phenyl-5-[[propylamino(sulfanylidene)methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-phenyl-5-(propylcarbamothioylamino)pyrazole-4-carboxylate Traditional Name: 1-phenyl-5-(propylthiocarbamoylamino)pyrazole-4-carboxylic acid ethyl ester Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCNC(=S)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C16H20N4O2S/c1-3-10-17-16(23)19-14-13(15(21)22-4-2)11-18-20(14)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H2,17,19,23)