9-[2-[5-(4-phenylbutylamino)pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol

Systemtic Name: 9-[2-[5-(4-phenylbutylamino)pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol Openeye Name: 9-[2-[5-(4-phenylbutylamino)pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol CAS Name: 9-[2-[5-(4-phenylbutylamino)pent-3-ynyl]-1,3-dithian-2-yl]-9-thioxanthenol IUPAC Name: 9-[2-[5-(4-phenylbutylamino)pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol Traditional Name: 9-[2-[5-(4-phenylbutylamino)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:

C1CSC(SC1)(CCC#CCNCCCCC2=CC=CC=C2)C3(C4=CC=CC=C4SC5=CC=CC=C53)O

Isomeric SMILES

C1CSC(SC1)(CCC#CCNCCCCC2=CC=CC=C2)C3(C4=CC=CC=C4SC5=CC=CC=C53)O

InChI

InChI=1S/C32H35NOS3/c34-32(27-17-5-7-19-29(27)37-30-20-8-6-18-28(30)32)31(35-24-13-25-36-31)21-10-2-11-22-33-23-12-9-16-26-14-3-1-4-15-26/h1,3-8,14-15,17-20,33-34H,9-10,12-13,16,21-25H2