4-[[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[3-(methylthio)-1-oxopropyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-methylsulfanylpropanoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(methylthio)propanoyl]piperazino]methyl]benzonitrile Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CSCCC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H21N3OS/c1-21-11-6-16(20)19-9-7-18(8-10-19)13-15-4-2-14(12-17)3-5-15/h2-5H,6-11,13H2,1H3