S-[4-[4-phenyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl] butanethioate

Systemtic Name: S-[4-[4-phenyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl] butanethioate Openeye Name: S-[4-[4-phenyl-5-(trifluoromethyl)isoxazol-3-yl]phenyl] butanethioate CAS Name: butanethioic acid S-[4-[4-phenyl-5-(trifluoromethyl)-3-isoxazolyl]phenyl] ester IUPAC Name: S-[4-[4-phenyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl] butanethioate Traditional Name: butanethioic acid S-[4-[4-phenyl-5-(trifluoromethyl)isoxazol-3-yl]phenyl] ester Formula: C20H16F3NO2S MolecularWeight: 391.40675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)SC1=CC=C(C=C1)C2=NOC(=C2C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CCCC(=O)SC1=CC=C(C=C1)C2=NOC(=C2C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H16F3NO2S/c1-2-6-16(25)27-15-11-9-14(10-12-15)18-17(13-7-4-3-5-8-13)19(26-24-18)20(21,22)23/h3-5,7-12H,2,6H2,1H3