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

Systemtic Name: 2-[4-(2-methylsulfanylphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-methylsulfanylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[2-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-methylsulfanylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(methylthio)benzoyl]piperazino]sulfonylbenzonitrile Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C19H19N3O3S2/c1-26-17-8-4-3-7-16(17)19(23)21-10-12-22(13-11-21)27(24,25)18-9-5-2-6-15(18)14-20/h2-9H,10-13H2,1H3