3,9-dimethyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol

Systemtic Name: 3,9-dimethyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Openeye Name: 3,9-dimethyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol CAS Name: 3,9-dimethyl-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol IUPAC Name: 3,9-dimethyl-6-phenylsulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Traditional Name: 3,9-dimethyl-6-(phenylthio)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1CCN(CC2)C)SC3=CC=CC=C3)O)O

Isomeric SMILES

CC1=C(C(=C(C2=C1CCN(CC2)C)SC3=CC=CC=C3)O)O

InChI

InChI=1S/C18H21NO2S/c1-12-14-8-10-19(2)11-9-15(14)18(17(21)16(12)20)22-13-6-4-3-5-7-13/h3-7,20-21H,8-11H2,1-2H3