3-methyl-6-[4-(trifluoromethyl)phenyl]sulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol

Systemtic Name: 3-methyl-6-[4-(trifluoromethyl)phenyl]sulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Openeye Name: 3-methyl-6-[4-(trifluoromethyl)phenyl]sulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol CAS Name: 3-methyl-6-[[4-(trifluoromethyl)phenyl]thio]-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol IUPAC Name: 3-methyl-6-[4-(trifluoromethyl)phenyl]sulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Traditional Name: 3-methyl-6-[[4-(trifluoromethyl)phenyl]thio]-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Formula: C18H18F3NO2S MolecularWeight: 369.40123

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C(=C2CC1)SC3=CC=C(C=C3)C(F)(F)F)O)O

Isomeric SMILES

CN1CCC2=CC(=C(C(=C2CC1)SC3=CC=C(C=C3)C(F)(F)F)O)O

InChI

InChI=1S/C18H18F3NO2S/c1-22-8-6-11-10-15(23)16(24)17(14(11)7-9-22)25-13-4-2-12(3-5-13)18(19,20)21/h2-5,10,23-24H,6-9H2,1H3