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

Systemtic Name: 2-[4-[2-(3-chloranylpyridin-2-yl)sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[(3-chloro-2-pyridyl)sulfanyl]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(3-chloro-2-pyridinyl)thio]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(3-chloropyridin-2-yl)sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(3-chloro-2-pyridyl)thio]acetyl]piperazino]sulfonylbenzonitrile Formula: C18H17ClN4O3S2 MolecularWeight: 436.93558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O3S2/c19-15-5-3-7-21-18(15)27-13-17(24)22-8-10-23(11-9-22)28(25,26)16-6-2-1-4-14(16)12-20/h1-7H,8-11,13H2