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

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

CC#CCC(C1CCCNC1)C2(SCCCS2)C3(C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)O

Isomeric SMILES

CC#CCC(C1CCCNC1)C2(SCCCS2)C3(C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)O

InChI

InChI=1S/C27H30ClNOS3/c1-2-3-9-21(19-8-6-14-29-18-19)27(31-15-7-16-32-27)26(30)22-10-4-5-11-24(22)33-25-13-12-20(28)17-23(25)26/h4-5,10-13,17,19,21,29-30H,6-9,14-16,18H2,1H3