1,2,3-trimethyl-4-(trifluoromethyl)thianthrene

Systemtic Name: 1,2,3-trimethyl-4-(trifluoromethyl)thianthrene Openeye Name: 1,2,3-trimethyl-4-(trifluoromethyl)thianthrene CAS Name: 1,2,3-trimethyl-4-(trifluoromethyl)thianthrene IUPAC Name: 1,2,3-trimethyl-4-(trifluoromethyl)thianthrene Traditional Name: 1,2,3-trimethyl-4-(trifluoromethyl)thianthrene Formula: C16H13F3S2 MolecularWeight: 326.39963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1C)SC3=CC=CC=C3S2)C(F)(F)F)C

Isomeric SMILES

CC1=C(C(=C2C(=C1C)SC3=CC=CC=C3S2)C(F)(F)F)C

InChI

InChI=1S/C16H13F3S2/c1-8-9(2)13(16(17,18)19)15-14(10(8)3)20-11-6-4-5-7-12(11)21-15/h4-7H,1-3H3