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

Systemtic Name: ethyl 1-(phenylmethyl)-5-(propylcarbamothioylamino)pyrazole-4-carboxylate Openeye Name: ethyl 1-benzyl-5-(propylcarbamothioylamino)pyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-5-[[propylamino(sulfanylidene)methyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-(propylcarbamothioylamino)pyrazole-4-carboxylate Traditional Name: 1-benzyl-5-(propylthiocarbamoylamino)pyrazole-4-carboxylic acid ethyl ester Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=C(C=NN1CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCNC(=S)NC1=C(C=NN1CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C17H22N4O2S/c1-3-10-18-17(24)20-15-14(16(22)23-4-2)11-19-21(15)12-13-8-6-5-7-9-13/h5-9,11H,3-4,10,12H2,1-2H3,(H2,18,20,24)