3-methyl-6-(4-methylphenyl)sulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol

Systemtic Name: 3-methyl-6-(4-methylphenyl)sulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Openeye Name: 3-methyl-6-(p-tolylsulfanyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol CAS Name: 3-methyl-6-[(4-methylphenyl)thio]-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol IUPAC Name: 3-methyl-6-(4-methylphenyl)sulfanyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Traditional Name: 3-methyl-6-(p-tolylthio)-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=CC=C(C=C1)SC2=C3CCN(CCC3=CC(=C2O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C3CCN(CCC3=CC(=C2O)O)C

InChI

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