methyl 2-[[4-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]pyrazol-1-yl]methyl]benzoate

Systemtic Name: methyl 2-[[4-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]pyrazol-1-yl]methyl]benzoate CAS Name: 2-[[4-[[[(1-ethyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(1-ethylpyrazol-4-yl)methylcarbamothioylamino]pyrazol-1-yl]methyl]benzoate Traditional Name: 2-[[4-[(1-ethylpyrazol-4-yl)methylthiocarbamoylamino]pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C19H22N6O2S MolecularWeight: 398.48198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CNC(=S)NC2=CN(N=C2)CC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCN1C=C(C=N1)CNC(=S)NC2=CN(N=C2)CC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C19H22N6O2S/c1-3-24-11-14(9-21-24)8-20-19(28)23-16-10-22-25(13-16)12-15-6-4-5-7-17(15)18(26)27-2/h4-7,9-11,13H,3,8,12H2,1-2H3,(H2,20,23,28)