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

Systemtic Name: methyl 2-[[4-(2-methoxyethylcarbamothioylamino)pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-(2-methoxyethylcarbamothioylamino)pyrazol-1-yl]methyl]benzoate CAS Name: 2-[[4-[[(2-methoxyethylamino)-sulfanylidenemethyl]amino]-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(2-methoxyethylcarbamothioylamino)pyrazol-1-yl]methyl]benzoate Traditional Name: 2-[[4-(2-methoxyethylthiocarbamoylamino)pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)NC1=CN(N=C1)CC2=CC=CC=C2C(=O)OC

Isomeric SMILES

COCCNC(=S)NC1=CN(N=C1)CC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C16H20N4O3S/c1-22-8-7-17-16(24)19-13-9-18-20(11-13)10-12-5-3-4-6-14(12)15(21)23-2/h3-6,9,11H,7-8,10H2,1-2H3,(H2,17,19,24)