[4-(6-bromanylnaphthalen-2-yl)sulfanyl-2-(trifluoromethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(6-bromanylnaphthalen-2-yl)sulfanyl-2-(trifluoromethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone Openeye Name: [4-[(6-bromo-2-naphthyl)sulfanyl]-2-(trifluoromethyl)phenyl]-[4-(4-pyridyl)piperazin-1-yl]methanone CAS Name: [4-[(6-bromo-2-naphthalenyl)thio]-2-(trifluoromethyl)phenyl]-(4-pyridin-4-yl-1-piperazinyl)methanone IUPAC Name: [4-(6-bromonaphthalen-2-yl)sulfanyl-2-(trifluoromethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone Traditional Name: [4-[(6-bromo-2-naphthyl)thio]-2-(trifluoromethyl)phenyl]-[4-(4-pyridyl)piperazino]methanone Formula: C27H21BrF3N3OS MolecularWeight: 572.43935

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C(=O)C3=C(C=C(C=C3)SC4=CC5=C(C=C4)C=C(C=C5)Br)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(=O)C3=C(C=C(C=C3)SC4=CC5=C(C=C4)C=C(C=C5)Br)C(F)(F)F

InChI

InChI=1S/C27H21BrF3N3OS/c28-20-3-1-19-16-22(4-2-18(19)15-20)36-23-5-6-24(25(17-23)27(29,30)31)26(35)34-13-11-33(12-14-34)21-7-9-32-10-8-21/h1-10,15-17H,11-14H2