propan-2-yl 1-ethyl-4-[(phenylmethyl)carbamothioylamino]pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 1-ethyl-4-[(phenylmethyl)carbamothioylamino]pyrazole-3-carboxylate Openeye Name: isopropyl 4-(benzylcarbamothioylamino)-1-ethyl-pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(benzylcarbamothioylamino)-1-ethylpyrazole-3-carboxylate Traditional Name: 4-(benzylthiocarbamoylamino)-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NCC2=CC=CC=C2

InChI

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