2-[4-[(E)-3-(5-chloranyl-3-fluoranyl-9H-thioxanthen-9-yl)prop-2-enyl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[(E)-3-(5-chloranyl-3-fluoranyl-9H-thioxanthen-9-yl)prop-2-enyl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[(E)-3-(5-chloro-3-fluoro-9H-thioxanthen-9-yl)allyl]piperazin-1-yl]ethanol CAS Name: 2-[4-[(E)-3-(5-chloro-3-fluoro-9H-thioxanthen-9-yl)prop-2-enyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[(E)-3-(5-chloro-3-fluoro-9H-thioxanthen-9-yl)prop-2-enyl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[(E)-3-(5-chloro-3-fluoro-9H-thioxanthen-9-yl)allyl]piperazino]ethanol Formula: C22H24ClFN2OS MolecularWeight: 418.955163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)CC=CC2C3=C(C(=CC=C3)Cl)SC4=C2C=CC(=C4)F

Isomeric SMILES

C1CN(CCN1CCO)C/C=C/C2C3=C(C(=CC=C3)Cl)SC4=C2C=CC(=C4)F

InChI

InChI=1S/C22H24ClFN2OS/c23-20-5-1-3-19-17(18-7-6-16(24)15-21(18)28-22(19)20)4-2-8-25-9-11-26(12-10-25)13-14-27/h1-7,15,17,27H,8-14H2/b4-2+