2-chloranyl-9-[2-(5-piperidin-1-ylpent-3-ynyl)-1,3-dithian-2-yl]thioxanthen-9-ol

Systemtic Name: 2-chloranyl-9-[2-(5-piperidin-1-ylpent-3-ynyl)-1,3-dithian-2-yl]thioxanthen-9-ol Openeye Name: 2-chloro-9-[2-[5-(1-piperidyl)pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol CAS Name: 2-chloro-9-[2-[5-(1-piperidinyl)pent-3-ynyl]-1,3-dithian-2-yl]-9-thioxanthenol IUPAC Name: 2-chloro-9-[2-(5-piperidin-1-ylpent-3-ynyl)-1,3-dithian-2-yl]thioxanthen-9-ol Traditional Name: 2-chloro-9-[2-(5-piperidinopent-3-ynyl)-1,3-dithian-2-yl]thioxanthen-9-ol Formula: C27H30ClNOS3 MolecularWeight: 516.1812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC#CCCC2(SCCCS2)C3(C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)O

Isomeric SMILES

C1CCN(CC1)CC#CCCC2(SCCCS2)C3(C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)O

InChI

InChI=1S/C27H30ClNOS3/c28-21-12-13-25-23(20-21)27(30,22-10-3-4-11-24(22)33-25)26(31-18-9-19-32-26)14-5-1-6-15-29-16-7-2-8-17-29/h3-4,10-13,20,30H,2,5,7-9,14-19H2