propan-2-yl 1-ethyl-4-(phenethylcarbamothioylamino)pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 1-ethyl-4-(phenethylcarbamothioylamino)pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-(phenethylcarbamothioylamino)pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[(phenethylamino)-sulfanylidenemethyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-(phenethylcarbamothioylamino)pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-(phenethylthiocarbamoylamino)pyrazole-3-carboxylic acid isopropyl ester Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C18H24N4O2S/c1-4-22-12-15(16(21-22)17(23)24-13(2)3)20-18(25)19-11-10-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H2,19,20,25)