ethyl 5-[[2-(4-chlorophenyl)sulfanylphenyl]carbamoyl]-2-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[[2-(4-chlorophenyl)sulfanylphenyl]carbamoyl]-2-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[[2-(4-chlorophenyl)sulfanylphenyl]carbamoyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[[2-[(4-chlorophenyl)thio]anilino]-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-chlorophenyl)sulfanylphenyl]carbamoyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[[2-[(4-chlorophenyl)thio]phenyl]carbamoyl]-2-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C)C(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3O3S/c1-3-27-20(26)17-12-16(23-24(17)2)19(25)22-15-6-4-5-7-18(15)28-14-10-8-13(21)9-11-14/h4-12H,3H2,1-2H3,(H,22,25)