4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridin-3-yl]carbonylpiperazin-2-one

Systemtic Name: 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridin-3-yl]carbonylpiperazin-2-one Openeye Name: 4-[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-2-one CAS Name: 4-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinyl]-oxomethyl]-2-piperazinone IUPAC Name: 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-2-one Traditional Name: 4-[2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinoyl]piperazin-2-one Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)N3CCNC(=O)C3

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)N3CCNC(=O)C3

InChI

InChI=1S/C16H18N4O3S/c1-10-13(11(2)23-19-10)9-24-15-12(4-3-5-18-15)16(22)20-7-6-17-14(21)8-20/h3-5H,6-9H2,1-2H3,(H,17,21)