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

Systemtic Name: 6-(4-hydroxyphenyl)sulfanyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Openeye Name: 6-(4-hydroxyphenyl)sulfanyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol CAS Name: 6-[(4-hydroxyphenyl)thio]-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol IUPAC Name: 6-(4-hydroxyphenyl)sulfanyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Traditional Name: 6-[(4-hydroxyphenyl)thio]-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO3S/c1-18-8-6-11-10-15(20)16(21)17(14(11)7-9-18)22-13-4-2-12(19)3-5-13/h2-5,10,19-21H,6-9H2,1H3