propan-2-yl 1-ethyl-4-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 1-ethyl-4-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[[(1-ethyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[(1-ethylpyrazol-4-yl)methylthiocarbamoylamino]pyrazole-3-carboxylic acid isopropyl ester Formula: C16H24N6O2S MolecularWeight: 364.46576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CNC(=S)NC2=CN(N=C2C(=O)OC(C)C)CC

Isomeric SMILES

CCN1C=C(C=N1)CNC(=S)NC2=CN(N=C2C(=O)OC(C)C)CC

InChI

InChI=1S/C16H24N6O2S/c1-5-21-9-12(8-18-21)7-17-16(25)19-13-10-22(6-2)20-14(13)15(23)24-11(3)4/h8-11H,5-7H2,1-4H3,(H2,17,19,25)