ethyl 2-butyl-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-methylsulfanyl-3H-pyrazole-5-carboxylate

Systemtic Name: ethyl 2-butyl-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-methylsulfanyl-3H-pyrazole-5-carboxylate Openeye Name: ethyl 2-butyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-methylsulfanyl-3H-pyrazole-5-carboxylate CAS Name: 2-butyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-(methylthio)-3H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-methylsulfanyl-3H-pyrazole-5-carboxylate Traditional Name: 1-butyl-2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-(methylthio)-3-pyrazoline-3-carboxylic acid ethyl ester Formula: C19H25ClN2O4S MolecularWeight: 412.9308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)OCC)SC

Isomeric SMILES

CCCCN1CC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)OCC)SC

InChI

InChI=1S/C19H25ClN2O4S/c1-4-6-7-21-11-17(27-3)18(19(23)24-5-2)22(21)10-13-8-15-16(9-14(13)20)26-12-25-15/h8-9H,4-7,10-12H2,1-3H3