5-fluoranyl-2-[1-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]-1,3-benzothiazole

Systemtic Name: 5-fluoranyl-2-[1-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]-1,3-benzothiazole Openeye Name: 5-fluoro-2-[1-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]-1,3-benzothiazole CAS Name: 5-fluoro-2-[1-[4-(methylthio)phenyl]-5-(trifluoromethyl)-3-pyrazolyl]-1,3-benzothiazole IUPAC Name: 5-fluoro-2-[1-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]-1,3-benzothiazole Traditional Name: 5-fluoro-2-[1-[4-(methylthio)phenyl]-5-(trifluoromethyl)pyrazol-3-yl]-1,3-benzothiazole Formula: C18H11F4N3S2 MolecularWeight: 409.423653

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2C(=CC(=N2)C3=NC4=C(S3)C=CC(=C4)F)C(F)(F)F

Isomeric SMILES

CSC1=CC=C(C=C1)N2C(=CC(=N2)C3=NC4=C(S3)C=CC(=C4)F)C(F)(F)F

InChI

InChI=1S/C18H11F4N3S2/c1-26-12-5-3-11(4-6-12)25-16(18(20,21)22)9-14(24-25)17-23-13-8-10(19)2-7-15(13)27-17/h2-9H,1H3