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

Systemtic Name: 4-[[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridin-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-[(5-methylisoxazol-3-yl)methylthio]nicotinoyl]piperazino]methyl]benzonitrile Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H23N5O2S/c1-17-13-20(26-30-17)16-31-22-21(3-2-8-25-22)23(29)28-11-9-27(10-12-28)15-19-6-4-18(14-24)5-7-19/h2-8,13H,9-12,15-16H2,1H3