ethyl 5-azanyl-1-(phenylcarbonyl)-3-(phenylmethylsulfanyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(phenylcarbonyl)-3-(phenylmethylsulfanyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-benzoyl-3-benzylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-benzoyl-3-(phenylmethylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-benzoyl-3-benzylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-benzoyl-3-(benzylthio)pyrazole-4-carboxylic acid ethyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c1-2-26-20(25)16-17(21)23(19(24)15-11-7-4-8-12-15)22-18(16)27-13-14-9-5-3-6-10-14/h3-12H,2,13,21H2,1H3