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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClNOS3/c1-2-14-27-15-7-3-6-13-24(29-16-8-17-30-24)25(28)20-9-4-5-10-22(20)31-23-12-11-19(26)18-21(23)25/h4-5,9-12,18,27-28H,2,6,8,13-17H2,1H3