2-[4-[(3Z)-3-(2-bromanyl-7-chloranyl-thioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[(3Z)-3-(2-bromanyl-7-chloranyl-thioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[(3Z)-3-(2-bromo-7-chloro-thioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol CAS Name: 2-[4-[(3Z)-3-(2-bromo-7-chloro-9-thioxanthenylidene)propyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[(3Z)-3-(2-bromo-7-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[(3Z)-3-(2-bromo-7-chloro-thioxanthen-9-ylidene)propyl]piperazino]ethanol Formula: C22H24BrClN2OS MolecularWeight: 479.86076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC=C2C3=C(C=CC(=C3)Cl)SC4=C2C=C(C=C4)Br)CCO

Isomeric SMILES

C1CN(CCN1CC/C=C\2/C3=C(C=CC(=C3)Cl)SC4=C2C=C(C=C4)Br)CCO

InChI

InChI=1S/C22H24BrClN2OS/c23-16-3-5-21-19(14-16)18(20-15-17(24)4-6-22(20)28-21)2-1-7-25-8-10-26(11-9-25)12-13-27/h2-6,14-15,27H,1,7-13H2/b18-2+