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

Systemtic Name: 2-chloranyl-9-[2-[5-(diethylamino)pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol Openeye Name: 2-chloro-9-[2-[5-(diethylamino)pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol CAS Name: 2-chloro-9-[2-[5-(diethylamino)pent-3-ynyl]-1,3-dithian-2-yl]-9-thioxanthenol IUPAC Name: 2-chloro-9-[2-[5-(diethylamino)pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol Traditional Name: 2-chloro-9-[2-[5-(diethylamino)pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol Formula: C26H30ClNOS3 MolecularWeight: 504.1705

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30ClNOS3/c1-3-28(4-2)16-9-5-8-15-25(30-17-10-18-31-25)26(29)21-11-6-7-12-23(21)32-24-14-13-20(27)19-22(24)26/h6-7,11-14,19,29H,3-4,8,10,15-18H2,1-2H3