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

Systemtic Name: propan-2-yl 1-ethyl-4-(phenylcarbamothioylamino)pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-(phenylcarbamothioylamino)pyrazole-3-carboxylate CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]-1-ethyl-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-(phenylcarbamothioylamino)pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-(phenylthiocarbamoylamino)pyrazole-3-carboxylic acid isopropyl ester Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NC2=CC=CC=C2

InChI

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