4-[[4-(2-methylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-methylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-methylsulfanylpyridine-3-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(methylthio)nicotinoyl]piperazino]methyl]benzonitrile Formula: C19H20N4OS MolecularWeight: 352.4533

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H20N4OS/c1-25-18-17(3-2-8-21-18)19(24)23-11-9-22(10-12-23)14-16-6-4-15(13-20)5-7-16/h2-8H,9-12,14H2,1H3