2-[4-[2-[1-(phenylmethyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[1-(phenylmethyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(1-benzylimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-[[1-(phenylmethyl)-2-imidazolyl]thio]ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(1-benzylimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(1-benzylimidazol-2-yl)thio]acetyl]piperazino]sulfonylbenzonitrile Formula: C23H23N5O3S2 MolecularWeight: 481.59042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC=CN2CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC=CN2CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H23N5O3S2/c24-16-20-8-4-5-9-21(20)33(30,31)28-14-12-26(13-15-28)22(29)18-32-23-25-10-11-27(23)17-19-6-2-1-3-7-19/h1-11H,12-15,17-18H2