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

Systemtic Name: 9-[2-[5-(5-phenylpentylamino)pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol Openeye Name: 9-[2-[5-(5-phenylpentylamino)pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol CAS Name: 9-[2-[5-(5-phenylpentylamino)pent-3-ynyl]-1,3-dithian-2-yl]-9-thioxanthenol IUPAC Name: 9-[2-[5-(5-phenylpentylamino)pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol Traditional Name: 9-[2-[5-(5-phenylpentylamino)pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol Formula: C33H37NOS3 MolecularWeight: 559.84798

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)(CCC#CCNCCCCCC2=CC=CC=C2)C3(C4=CC=CC=C4SC5=CC=CC=C53)O

Isomeric SMILES

C1CSC(SC1)(CCC#CCNCCCCCC2=CC=CC=C2)C3(C4=CC=CC=C4SC5=CC=CC=C53)O

InChI

InChI=1S/C33H37NOS3/c35-33(28-18-7-9-20-30(28)38-31-21-10-8-19-29(31)33)32(36-25-14-26-37-32)22-11-3-13-24-34-23-12-2-6-17-27-15-4-1-5-16-27/h1,4-5,7-10,15-16,18-21,34-35H,2,6,11-12,14,17,22-26H2