[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: [4-(5-bromo-2-pyridyl)piperazin-1-yl]-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: [4-(5-bromo-2-pyridinyl)-1-piperazinyl]-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: [4-(5-bromopyridin-2-yl)piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: [4-(5-bromo-2-pyridyl)piperazino]-[2-(phenylthio)-3-pyridyl]methanone Formula: C21H19BrN4OS MolecularWeight: 455.37076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H19BrN4OS/c22-16-8-9-19(24-15-16)25-11-13-26(14-12-25)21(27)18-7-4-10-23-20(18)28-17-5-2-1-3-6-17/h1-10,15H,11-14H2