6-[3-(azetidin-1-yl)prop-1-ynyl]-3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole

Systemtic Name: 6-[3-(azetidin-1-yl)prop-1-ynyl]-3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole Openeye Name: 6-[3-(azetidin-1-yl)prop-1-ynyl]-3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole CAS Name: 6-[3-(1-azetidinyl)prop-1-ynyl]-3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole IUPAC Name: 6-[3-(azetidin-1-yl)prop-1-ynyl]-3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole Traditional Name: 6-[3-(azetidin-1-yl)prop-1-ynyl]-3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole Formula: C20H15F3N2S MolecularWeight: 372.40671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)CC#CC2=CC3=C(C=C2)C(=NS3)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(C1)CC#CC2=CC3=C(C=C2)C(=NS3)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H15F3N2S/c21-20(22,23)16-7-5-15(6-8-16)19-17-9-4-14(13-18(17)26-24-19)3-1-10-25-11-2-12-25/h4-9,13H,2,10-12H2