ethyl 2-[(3-chlorophenyl)carbamoyl]-4-phenylsulfanyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 2-[(3-chlorophenyl)carbamoyl]-4-phenylsulfanyl-pyrazole-3-carboxylate Openeye Name: ethyl 2-[(3-chlorophenyl)carbamoyl]-4-phenylsulfanyl-pyrazole-3-carboxylate CAS Name: 2-[(3-chloroanilino)-oxomethyl]-4-(phenylthio)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chlorophenyl)carbamoyl]-4-phenylsulfanylpyrazole-3-carboxylate Traditional Name: 2-[(3-chlorophenyl)carbamoyl]-4-(phenylthio)pyrazole-3-carboxylic acid ethyl ester Formula: C19H16ClN3O3S MolecularWeight: 401.86664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1C(=O)NC2=CC(=CC=C2)Cl)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C=NN1C(=O)NC2=CC(=CC=C2)Cl)SC3=CC=CC=C3

InChI

InChI=1S/C19H16ClN3O3S/c1-2-26-18(24)17-16(27-15-9-4-3-5-10-15)12-21-23(17)19(25)22-14-8-6-7-13(20)11-14/h3-12H,2H2,1H3,(H,22,25)