ethyl 5-[(3,4-dichlorophenyl)carbamoylamino]-3-(phenylmethylsulfanyl)-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(3,4-dichlorophenyl)carbamoylamino]-3-(phenylmethylsulfanyl)-1H-pyrazole-4-carboxylate Openeye Name: ethyl 3-benzylsulfanyl-5-[(3,4-dichlorophenyl)carbamoylamino]-1H-pyrazole-4-carboxylate CAS Name: 5-[[(3,4-dichloroanilino)-oxomethyl]amino]-3-(phenylmethylthio)-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-5-[(3,4-dichlorophenyl)carbamoylamino]-1H-pyrazole-4-carboxylate Traditional Name: 3-(benzylthio)-5-[(3,4-dichlorophenyl)carbamoylamino]-1H-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(NN=C1SCC2=CC=CC=C2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

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