methyl (1Z)-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylpiperidine-1-carboximidothioate

Systemtic Name: methyl (1Z)-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylpiperidine-1-carboximidothioate Openeye Name: methyl (1Z)-N-[4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylpiperidine-1-carboximidothioate CAS Name: (1Z)-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]phenyl]sulfonyl-1-piperidinecarboximidothioic acid methyl ester IUPAC Name: methyl (1Z)-N-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylpiperidine-1-carboximidothioate Traditional Name: (1Z)-N-[4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylpiperidine-1-carboximidothioic acid methyl ester Formula: C21H21F3N4O2S3 MolecularWeight: 514.60725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=CS3)N4CCCCC4

Isomeric SMILES

CS/C(=N\S(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=CS3)/N4CCCCC4

InChI

InChI=1S/C21H21F3N4O2S3/c1-31-20(27-11-3-2-4-12-27)26-33(29,30)16-9-7-15(8-10-16)28-17(18-6-5-13-32-18)14-19(25-28)21(22,23)24/h5-10,13-14H,2-4,11-12H2,1H3/b26-20-