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

Systemtic Name: 2-butyl-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-methylsulfanyl-3H-pyrazole-5-carboxylic acid Openeye Name: 2-butyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-methylsulfanyl-3H-pyrazole-5-carboxylic acid CAS Name: 2-butyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-(methylthio)-3H-pyrazole-5-carboxylic acid IUPAC Name: 2-butyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-methylsulfanyl-3H-pyrazole-5-carboxylic acid Traditional Name: 1-butyl-2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-(methylthio)-3-pyrazoline-3-carboxylic acid Formula: C17H21ClN2O4S MolecularWeight: 384.87764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O4S/c1-3-4-5-19-9-15(25-2)16(17(21)22)20(19)8-11-6-13-14(7-12(11)18)24-10-23-13/h6-7H,3-5,8-10H2,1-2H3,(H,21,22)