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

Systemtic Name: ethyl 5-azanyl-1-phenyl-3-(phenylmethylsulfanyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-3-benzylsulfanyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-phenyl-3-(phenylmethylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-benzylsulfanyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-amino-3-(benzylthio)-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O2S/c1-2-24-19(23)16-17(20)22(15-11-7-4-8-12-15)21-18(16)25-13-14-9-5-3-6-10-14/h3-12H,2,13,20H2,1H3