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

Systemtic Name: propan-2-yl 1-ethyl-4-[[1-(phenylmethyl)pyrazol-4-yl]carbamothioylamino]pyrazole-3-carboxylate Openeye Name: isopropyl 4-[(1-benzylpyrazol-4-yl)carbamothioylamino]-1-ethyl-pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[[[1-(phenylmethyl)-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(1-benzylpyrazol-4-yl)carbamothioylamino]-1-ethylpyrazole-3-carboxylate Traditional Name: 4-[(1-benzylpyrazol-4-yl)thiocarbamoylamino]-1-ethyl-pyrazole-3-carboxylic acid isopropyl ester Formula: C20H24N6O2S MolecularWeight: 412.50856

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=S)NC2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N6O2S/c1-4-25-13-17(18(24-25)19(27)28-14(2)3)23-20(29)22-16-10-21-26(12-16)11-15-8-6-5-7-9-15/h5-10,12-14H,4,11H2,1-3H3,(H2,22,23,29)