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

Systemtic Name: 2-butyl-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-methylsulfanyl-3H-pyrazole-5-carboxylate Openeye Name: 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-carboxylate IUPAC Name: 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-carboxylate Formula: C17H20ClN2O4S- MolecularWeight: 383.8697

Click to see the large picture

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)/p-1