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

Systemtic Name: 2-chloranyl-9-[2-[5-[ethyl(methyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol Openeye Name: 2-chloro-9-[2-[5-[ethyl(methyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol CAS Name: 2-chloro-9-[2-[5-[ethyl(methyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]-9-thioxanthenol IUPAC Name: 2-chloro-9-[2-[5-[ethyl(methyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol Traditional Name: 2-chloro-9-[2-[5-[ethyl(methyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol Formula: C25H28ClNOS3 MolecularWeight: 490.14392

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)CC#CCCC1(SCCCS1)C2(C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)O

Isomeric SMILES

CCN(C)CC#CCCC1(SCCCS1)C2(C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)O

InChI

InChI=1S/C25H28ClNOS3/c1-3-27(2)15-8-4-7-14-24(29-16-9-17-30-24)25(28)20-10-5-6-11-22(20)31-23-13-12-19(26)18-21(23)25/h5-6,10-13,18,28H,3,7,9,14-17H2,1-2H3