[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridin-3-yl]carbonylpiperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridin-3-yl]carbonylpiperazin-1-yl]-phenyl-methanone Openeye Name: [4-[2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[[2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinyl]-oxomethyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[2-[(5-methylisoxazol-3-yl)methylthio]nicotinoyl]piperazino]-phenyl-methanone Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3S/c1-16-14-18(24-29-16)15-30-20-19(8-5-9-23-20)22(28)26-12-10-25(11-13-26)21(27)17-6-3-2-4-7-17/h2-9,14H,10-13,15H2,1H3