3-(4-phenylsulfanylphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol

Systemtic Name: 3-(4-phenylsulfanylphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Openeye Name: 3-(4-phenylsulfanylphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol CAS Name: 3-[4-(phenylthio)phenyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol IUPAC Name: 3-(4-phenylsulfanylphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Traditional Name: 3-[4-(phenylthio)phenyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Formula: C21H19NO2S MolecularWeight: 349.44606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=CC(=C(C=C21)O)O)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

C1C(NCC2=CC(=C(C=C21)O)O)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H19NO2S/c23-20-11-15-10-19(22-13-16(15)12-21(20)24)14-6-8-18(9-7-14)25-17-4-2-1-3-5-17/h1-9,11-12,19,22-24H,10,13H2