ethyl 3-[methyl(methylcarbamothioyl)amino]-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 3-[methyl(methylcarbamothioyl)amino]-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-benzyl-3-[methyl(methylcarbamothioyl)amino]pyrazole-4-carboxylate CAS Name: 3-[methyl-[methylamino(sulfanylidene)methyl]amino]-1-(phenylmethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-[methyl(methylcarbamothioyl)amino]pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-[methyl(methylthiocarbamoyl)amino]pyrazole-4-carboxylic acid ethyl ester Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1N(C)C(=S)NC)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN(N=C1N(C)C(=S)NC)CC2=CC=CC=C2

InChI

InChI=1S/C16H20N4O2S/c1-4-22-15(21)13-11-20(10-12-8-6-5-7-9-12)18-14(13)19(3)16(23)17-2/h5-9,11H,4,10H2,1-3H3,(H,17,23)