ethyl 5-azanyl-1-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-3-methylsulfanyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[2-(4-chlorophenyl)-2-oxo-ethyl]-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(methylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[2-(4-chlorophenyl)-2-oxoethyl]-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-[2-(4-chlorophenyl)-2-keto-ethyl]-3-(methylthio)pyrazole-4-carboxylic acid ethyl ester Formula: C15H16ClN3O3S MolecularWeight: 353.82384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SC)CC(=O)C2=CC=C(C=C2)Cl)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SC)CC(=O)C2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C15H16ClN3O3S/c1-3-22-15(21)12-13(17)19(18-14(12)23-2)8-11(20)9-4-6-10(16)7-5-9/h4-7H,3,8,17H2,1-2H3