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

Systemtic Name: 2-[4-(2-pyrimidin-2-ylsulfanylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-pyrimidin-2-ylsulfanylacetyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-(2-pyrimidinylthio)ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-pyrimidin-2-ylsulfanylacetyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(2-pyrimidylthio)acetyl]piperazino]sulfonylbenzonitrile Formula: C17H17N5O3S2 MolecularWeight: 403.47858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O3S2/c18-12-14-4-1-2-5-15(14)27(24,25)22-10-8-21(9-11-22)16(23)13-26-17-19-6-3-7-20-17/h1-7H,8-11,13H2