methyl 5-(4-chlorophenyl)-2-(3-morpholin-4-ylsulfonylphenyl)carbothioyl-pyrazole-3-carboxylate

Systemtic Name: methyl 5-(4-chlorophenyl)-2-(3-morpholin-4-ylsulfonylphenyl)carbothioyl-pyrazole-3-carboxylate Openeye Name: methyl 5-(4-chlorophenyl)-2-(3-morpholinosulfonylbenzenecarbothioyl)pyrazole-3-carboxylate CAS Name: 5-(4-chlorophenyl)-2-[[3-(4-morpholinylsulfonyl)phenyl]-sulfanylidenemethyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-chlorophenyl)-2-(3-morpholin-4-ylsulfonylbenzenecarbothioyl)pyrazole-3-carboxylate Traditional Name: 5-(4-chlorophenyl)-2-(3-morpholinosulfonylthiobenzoyl)pyrazole-3-carboxylic acid methyl ester Formula: C22H20ClN3O5S2 MolecularWeight: 505.9943

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NN1C(=S)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CC(=NN1C(=S)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN3O5S2/c1-30-22(27)20-14-19(15-5-7-17(23)8-6-15)24-26(20)21(32)16-3-2-4-18(13-16)33(28,29)25-9-11-31-12-10-25/h2-8,13-14H,9-12H2,1H3