5-(3-hydroxyphenyl)-9-methylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol

Systemtic Name: 5-(3-hydroxyphenyl)-9-methylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Openeye Name: 5-(3-hydroxyphenyl)-9-methylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol CAS Name: 5-(3-hydroxyphenyl)-9-(methylthio)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol IUPAC Name: 5-(3-hydroxyphenyl)-9-methylsulfanyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Traditional Name: 5-(3-hydroxyphenyl)-9-(methylthio)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2CCNCC(C2=CC(=C1O)O)C3=CC(=CC=C3)O

Isomeric SMILES

CSC1=C2CCNCC(C2=CC(=C1O)O)C3=CC(=CC=C3)O

InChI

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