methyl 2-[[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]pyrazol-1-yl]methyl]benzoate

Systemtic Name: methyl 2-[[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]pyrazol-1-yl]methyl]benzoate CAS Name: 2-[[4-[[[(1-ethyl-3-methyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(1-ethyl-3-methylpyrazol-4-yl)methylcarbamothioylamino]pyrazol-1-yl]methyl]benzoate Traditional Name: 2-[[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methylthiocarbamoylamino]pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C20H24N6O2S MolecularWeight: 412.50856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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