2-[2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[2-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[[2-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-2-oxoethyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[2-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[[2-[4-(5-bromo-2-pyridyl)piperazino]-2-keto-ethyl]thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C17H20BrN5O3S MolecularWeight: 454.3414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSCC(=O)N2CCN(CC2)C3=NC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSCC(=O)N2CCN(CC2)C3=NC=C(C=C3)Br

InChI

InChI=1S/C17H20BrN5O3S/c1-12-8-14(21-26-12)20-16(24)10-27-11-17(25)23-6-4-22(5-7-23)15-3-2-13(18)9-19-15/h2-3,8-9H,4-7,10-11H2,1H3,(H,20,21,24)