ethyl 1-(1,3-benzodioxol-5-yl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(1,3-benzodioxol-5-yl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate Openeye Name: ethyl 1-(1,3-benzodioxol-5-yl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate CAS Name: 1-(1,3-benzodioxol-5-yl)-5-[4-(methylthio)phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzodioxol-5-yl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate Traditional Name: 1-(1,3-benzodioxol-5-yl)-5-[4-(methylthio)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N2O4S/c1-3-24-20(23)16-11-17(13-4-7-15(27-2)8-5-13)22(21-16)14-6-9-18-19(10-14)26-12-25-18/h4-11H,3,12H2,1-2H3