9-(3-pyrrolidin-1-ylprop-1-ynyl)thioxanthen-9-ol

Systemtic Name: 9-(3-pyrrolidin-1-ylprop-1-ynyl)thioxanthen-9-ol Openeye Name: 9-(3-pyrrolidin-1-ylprop-1-ynyl)thioxanthen-9-ol CAS Name: 9-[3-(1-pyrrolidinyl)prop-1-ynyl]-9-thioxanthenol IUPAC Name: 9-(3-pyrrolidin-1-ylprop-1-ynyl)thioxanthen-9-ol Traditional Name: 9-(3-pyrrolidinoprop-1-ynyl)thioxanthen-9-ol Formula: C20H19NOS MolecularWeight: 321.43596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC#CC2(C3=CC=CC=C3SC4=CC=CC=C42)O

Isomeric SMILES

C1CCN(C1)CC#CC2(C3=CC=CC=C3SC4=CC=CC=C42)O

InChI

InChI=1S/C20H19NOS/c22-20(12-7-15-21-13-5-6-14-21)16-8-1-3-10-18(16)23-19-11-4-2-9-17(19)20/h1-4,8-11,22H,5-6,13-15H2