9-[2-(1-piperidin-3-ylpent-3-ynyl)-1,3-dithian-2-yl]thioxanthen-9-ol

Systemtic Name: 9-[2-(1-piperidin-3-ylpent-3-ynyl)-1,3-dithian-2-yl]thioxanthen-9-ol Openeye Name: 9-[2-[1-(3-piperidyl)pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol CAS Name: 9-[2-[1-(3-piperidinyl)pent-3-ynyl]-1,3-dithian-2-yl]-9-thioxanthenol IUPAC Name: 9-[2-(1-piperidin-3-ylpent-3-ynyl)-1,3-dithian-2-yl]thioxanthen-9-ol Traditional Name: 9-[2-[1-(3-piperidyl)pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol Formula: C27H31NOS3 MolecularWeight: 481.73614

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(C1CCCNC1)C2(SCCCS2)C3(C4=CC=CC=C4SC5=CC=CC=C53)O

Isomeric SMILES

CC#CCC(C1CCCNC1)C2(SCCCS2)C3(C4=CC=CC=C4SC5=CC=CC=C53)O

InChI

InChI=1S/C27H31NOS3/c1-2-3-11-21(20-10-8-16-28-19-20)27(30-17-9-18-31-27)26(29)22-12-4-6-14-24(22)32-25-15-7-5-13-23(25)26/h4-7,12-15,20-21,28-29H,8-11,16-19H2,1H3