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

Systemtic Name: ethyl 5-azanyl-3-[(4-chlorophenyl)methylsulfanyl]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-[(4-chlorophenyl)methylsulfanyl]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-amino-3-[(4-chlorophenyl)methylthio]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(4-chlorophenyl)methylsulfanyl]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-amino-3-[(4-chlorobenzyl)thio]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O2S/c1-2-25-19(24)16-17(21)23(15-6-4-3-5-7-15)22-18(16)26-12-13-8-10-14(20)11-9-13/h3-11H,2,12,21H2,1H3