ethyl 1-(phenylmethyl)-3-[phenyl(phenylcarbamothioyl)amino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(phenylmethyl)-3-[phenyl(phenylcarbamothioyl)amino]pyrazole-4-carboxylate Openeye Name: ethyl 1-benzyl-3-[N-(phenylcarbamothioyl)anilino]pyrazole-4-carboxylate CAS Name: 3-(N-[anilino(sulfanylidene)methyl]anilino)-1-(phenylmethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-[N-(phenylcarbamothioyl)anilino]pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-[N-(phenylthiocarbamoyl)anilino]pyrazole-4-carboxylic acid ethyl ester Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1N(C2=CC=CC=C2)C(=S)NC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN(N=C1N(C2=CC=CC=C2)C(=S)NC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H24N4O2S/c1-2-32-25(31)23-19-29(18-20-12-6-3-7-13-20)28-24(23)30(22-16-10-5-11-17-22)26(33)27-21-14-8-4-9-15-21/h3-17,19H,2,18H2,1H3,(H,27,33)