9-[2-[5-[methyl(3-phenylpropyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol

Systemtic Name: 9-[2-[5-[methyl(3-phenylpropyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol Openeye Name: 9-[2-[5-[methyl(3-phenylpropyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol CAS Name: 9-[2-[5-[methyl(3-phenylpropyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]-9-thioxanthenol IUPAC Name: 9-[2-[5-[methyl(3-phenylpropyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol Traditional Name: 9-[2-[5-[methyl(3-phenylpropyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol Formula: C32H35NOS3 MolecularWeight: 545.8214

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC=CC=C1)CC#CCCC2(SCCCS2)C3(C4=CC=CC=C4SC5=CC=CC=C53)O

Isomeric SMILES

CN(CCCC1=CC=CC=C1)CC#CCCC2(SCCCS2)C3(C4=CC=CC=C4SC5=CC=CC=C53)O

InChI

InChI=1S/C32H35NOS3/c1-33(23-12-16-26-14-4-2-5-15-26)22-11-3-10-21-31(35-24-13-25-36-31)32(34)27-17-6-8-19-29(27)37-30-20-9-7-18-28(30)32/h2,4-9,14-15,17-20,34H,10,12-13,16,21-25H2,1H3