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

Systemtic Name: 1-bromanyl-2,3,4-trimethyl-thianthrene; 1,2,3-trimethyl-4-(trifluoromethyl)thianthrene Openeye Name: 1-bromo-2,3,4-trimethyl-thianthrene; 1,2,3-trimethyl-4-(trifluoromethyl)thianthrene CAS Name: 1-bromo-2,3,4-trimethylthianthrene; 1,2,3-trimethyl-4-(trifluoromethyl)thianthrene IUPAC Name: 1-bromo-2,3,4-trimethylthianthrene; 1,2,3-trimethyl-4-(trifluoromethyl)thianthrene Traditional Name: 1-bromo-2,3,4-trimethyl-thianthrene; 1,2,3-trimethyl-4-(trifluoromethyl)thianthrene Formula: C31H26BrF3S4 MolecularWeight: 663.69735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1C)SC3=CC=CC=C3S2)C(F)(F)F)C.CC1=C(C2=C(C(=C1C)Br)SC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(C(=C2C(=C1C)SC3=CC=CC=C3S2)C(F)(F)F)C.CC1=C(C2=C(C(=C1C)Br)SC3=CC=CC=C3S2)C

InChI

InChI=1S/C16H13F3S2.C15H13BrS2/c1-8-9(2)13(16(17,18)19)15-14(10(8)3)20-11-6-4-5-7-12(11)21-15;1-8-9(2)13(16)15-14(10(8)3)17-11-6-4-5-7-12(11)18-15/h4-7H,1-3H3;4-7H,1-3H3