2-chloranyl-3-methyl-1,3-benzothiazol-3-ium; tris(fluoranyl)methane

Systemtic Name: 2-chloranyl-3-methyl-1,3-benzothiazol-3-ium; tris(fluoranyl)methane Openeye Name: 2-chloro-3-methyl-1,3-benzothiazol-3-ium; fluoroform CAS Name: 2-chloro-3-methyl-1,3-benzothiazol-3-ium; fluoroform IUPAC Name: 2-chloro-3-methyl-1,3-benzothiazol-3-ium; fluoroform Traditional Name: 2-chloro-3-methyl-1,3-benzothiazol-3-ium; fluoroform Formula: C9H8ClF3NS+ MolecularWeight: 254.67973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)Cl.C(F)(F)F

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)Cl.C(F)(F)F

InChI

InChI=1S/C8H7ClNS.CHF3/c1-10-6-4-2-3-5-7(6)11-8(10)9;2-1(3)4/h2-5H,1H3;1H/q+1;