(4-oxidanylidene-4-thiophen-2-yl-butyl) 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C19H17ClN2O3S MolecularWeight: 388.86788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCCCC(=O)C2=CC=CS2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCCCC(=O)C2=CC=CS2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C19H17ClN2O3S/c1-13-17(18(20)22(21-13)14-7-3-2-4-8-14)19(24)25-11-5-9-15(23)16-10-6-12-26-16/h2-4,6-8,10,12H,5,9,11H2,1H3