2-[3-(4-butylphenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]-2-(phenylsulfonyl)ethanenitrile

Systemtic Name: 2-[3-(4-butylphenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]-2-(phenylsulfonyl)ethanenitrile Openeye Name: 2-(benzenesulfonyl)-2-[3-(4-butylphenyl)-4-oxo-thiazolidin-2-ylidene]acetonitrile CAS Name: 2-(benzenesulfonyl)-2-[3-(4-butylphenyl)-4-oxo-2-thiazolidinylidene]acetonitrile IUPAC Name: 2-(benzenesulfonyl)-2-[3-(4-butylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile Traditional Name: 2-besyl-2-[3-(4-butylphenyl)-4-keto-thiazolidin-2-ylidene]acetonitrile Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)CSC2=C(C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)CSC2=C(C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S2/c1-2-3-7-16-10-12-17(13-11-16)23-20(24)15-27-21(23)19(14-22)28(25,26)18-8-5-4-6-9-18/h4-6,8-13H,2-3,7,15H2,1H3