[4-(6-bromanylnaphthalen-2-yl)sulfanylphenyl]-(1-pyridin-4-ylpiperidin-2-yl)methanone

Systemtic Name: [4-(6-bromanylnaphthalen-2-yl)sulfanylphenyl]-(1-pyridin-4-ylpiperidin-2-yl)methanone Openeye Name: [4-[(6-bromo-2-naphthyl)sulfanyl]phenyl]-[1-(4-pyridyl)-2-piperidyl]methanone CAS Name: [4-[(6-bromo-2-naphthalenyl)thio]phenyl]-(1-pyridin-4-yl-2-piperidinyl)methanone IUPAC Name: [4-(6-bromonaphthalen-2-yl)sulfanylphenyl]-(1-pyridin-4-ylpiperidin-2-yl)methanone Traditional Name: [4-[(6-bromo-2-naphthyl)thio]phenyl]-[1-(4-pyridyl)-2-piperidyl]methanone Formula: C27H23BrN2OS MolecularWeight: 503.45332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)C2=CC=C(C=C2)SC3=CC4=C(C=C3)C=C(C=C4)Br)C5=CC=NC=C5

Isomeric SMILES

C1CCN(C(C1)C(=O)C2=CC=C(C=C2)SC3=CC4=C(C=C3)C=C(C=C4)Br)C5=CC=NC=C5

InChI

InChI=1S/C27H23BrN2OS/c28-22-8-4-21-18-25(11-7-20(21)17-22)32-24-9-5-19(6-10-24)27(31)26-3-1-2-16-30(26)23-12-14-29-15-13-23/h4-15,17-18,26H,1-3,16H2