9-methylsulfanyl-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol

Systemtic Name: 9-methylsulfanyl-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Openeye Name: 3-allyl-9-methylsulfanyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol CAS Name: 9-(methylthio)-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol IUPAC Name: 9-methylsulfanyl-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Traditional Name: 3-allyl-9-(methylthio)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Formula: C20H23NO2S MolecularWeight: 341.46712

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2CCN(CC(C2=CC(=C1O)O)C3=CC=CC=C3)CC=C

Isomeric SMILES

CSC1=C2CCN(CC(C2=CC(=C1O)O)C3=CC=CC=C3)CC=C

InChI

InChI=1S/C20H23NO2S/c1-3-10-21-11-9-15-16(12-18(22)19(23)20(15)24-2)17(13-21)14-7-5-4-6-8-14/h3-8,12,17,22-23H,1,9-11,13H2,2H3