ethyl 1,3-dimethyl-5-(phenylmethylsulfanyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1,3-dimethyl-5-(phenylmethylsulfanyl)pyrazole-4-carboxylate Openeye Name: ethyl 5-benzylsulfanyl-1,3-dimethyl-pyrazole-4-carboxylate CAS Name: 1,3-dimethyl-5-(phenylmethylthio)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzylsulfanyl-1,3-dimethylpyrazole-4-carboxylate Traditional Name: 5-(benzylthio)-1,3-dimethyl-pyrazole-4-carboxylic acid ethyl ester Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C)SCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C)SCC2=CC=CC=C2

InChI

InChI=1S/C15H18N2O2S/c1-4-19-15(18)13-11(2)16-17(3)14(13)20-10-12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3