3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[2-(methylthio)phenyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-[2-(methylthio)phenyl]piperazino]sulfonylbenzonitrile Formula: C18H19N3O2S2 MolecularWeight: 373.49236

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CSC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H19N3O2S2/c1-24-18-8-3-2-7-17(18)20-9-11-21(12-10-20)25(22,23)16-6-4-5-15(13-16)14-19/h2-8,13H,9-12H2,1H3