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

Systemtic Name: 2-[4-(2-methylsulfanylphenyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-methylsulfanylphenyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(methylthio)phenyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-methylsulfanylphenyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[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=C3C#N

Isomeric SMILES

CSC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

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