2-[4-(2-pyridin-2-ylsulfanylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2-pyridin-2-ylsulfanylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(2-pyridylsulfanyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-(2-pyridinylthio)ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2-pyridylthio)acetyl]piperazino]sulfonylbenzonitrile Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H18N4O3S2/c19-13-15-5-1-2-6-16(15)27(24,25)22-11-9-21(10-12-22)18(23)14-26-17-7-3-4-8-20-17/h1-8H,9-12,14H2