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

Systemtic Name: 2-chloranyl-9-[2-[5-[methyl(3-phenylpropyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol Openeye Name: 2-chloro-9-[2-[5-[methyl(3-phenylpropyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol CAS Name: 2-chloro-9-[2-[5-[methyl(3-phenylpropyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]-9-thioxanthenol IUPAC Name: 2-chloro-9-[2-[5-[methyl(3-phenylpropyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol Traditional Name: 2-chloro-9-[2-[5-[methyl(3-phenylpropyl)amino]pent-3-ynyl]-1,3-dithian-2-yl]thioxanthen-9-ol Formula: C32H34ClNOS3 MolecularWeight: 580.26646

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC=CC=C1)CC#CCCC2(SCCCS2)C3(C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)O

Isomeric SMILES

CN(CCCC1=CC=CC=C1)CC#CCCC2(SCCCS2)C3(C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)O

InChI

InChI=1S/C32H34ClNOS3/c1-34(21-10-14-25-12-4-2-5-13-25)20-9-3-8-19-31(36-22-11-23-37-31)32(35)27-15-6-7-16-29(27)38-30-18-17-26(33)24-28(30)32/h2,4-7,12-13,15-18,24,35H,8,10-11,14,19-23H2,1H3