ethyl 5-azanyl-1-[(3,4-dichlorophenyl)carbamoyl]-3-(phenylmethylsulfanyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[(3,4-dichlorophenyl)carbamoyl]-3-(phenylmethylsulfanyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-benzylsulfanyl-1-[(3,4-dichlorophenyl)carbamoyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[(3,4-dichloroanilino)-oxomethyl]-3-(phenylmethylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-benzylsulfanyl-1-[(3,4-dichlorophenyl)carbamoyl]pyrazole-4-carboxylate Traditional Name: 5-amino-3-(benzylthio)-1-[(3,4-dichlorophenyl)carbamoyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H18Cl2N4O3S MolecularWeight: 465.35292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SCC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SCC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl)N

InChI

InChI=1S/C20H18Cl2N4O3S/c1-2-29-19(27)16-17(23)26(20(28)24-13-8-9-14(21)15(22)10-13)25-18(16)30-11-12-6-4-3-5-7-12/h3-10H,2,11,23H2,1H3,(H,24,28)