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

Systemtic Name: 4-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridin-3-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[2-[(5-methylisoxazol-3-yl)methylthio]nicotinoyl]piperazino]sulfonylbenzonitrile Formula: C22H21N5O4S2 MolecularWeight: 483.56324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O4S2/c1-16-13-18(25-31-16)15-32-21-20(3-2-8-24-21)22(28)26-9-11-27(12-10-26)33(29,30)19-6-4-17(14-23)5-7-19/h2-8,13H,9-12,15H2,1H3