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

Systemtic Name: 6-(4-methoxyphenyl)sulfanyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Openeye Name: 6-(4-methoxyphenyl)sulfanyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol CAS Name: 6-[(4-methoxyphenyl)thio]-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol IUPAC Name: 6-(4-methoxyphenyl)sulfanyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Traditional Name: 6-[(4-methoxyphenyl)thio]-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO3S/c1-19-9-7-12-11-16(20)17(21)18(15(12)8-10-19)23-14-5-3-13(22-2)4-6-14/h3-6,11,20-21H,7-10H2,1-2H3