(2Z)-2-(5-methyl-3-phenethyl-1,3-thiazol-2-ylidene)-2-(phenylsulfonyl)ethanenitrile

Systemtic Name: (2Z)-2-(5-methyl-3-phenethyl-1,3-thiazol-2-ylidene)-2-(phenylsulfonyl)ethanenitrile Openeye Name: (2Z)-2-(benzenesulfonyl)-2-(5-methyl-3-phenethyl-thiazol-2-ylidene)acetonitrile CAS Name: (2Z)-2-(benzenesulfonyl)-2-(5-methyl-3-phenethyl-2-thiazolylidene)acetonitrile IUPAC Name: (2Z)-2-(benzenesulfonyl)-2-(5-methyl-3-phenethyl-1,3-thiazol-2-ylidene)acetonitrile Traditional Name: (2Z)-2-besyl-2-(5-methyl-3-phenethyl-4-thiazolin-2-ylidene)acetonitrile Formula: C20H18N2O2S2 MolecularWeight: 382.49912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=C(C#N)S(=O)(=O)C2=CC=CC=C2)S1)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CN(/C(=C(\C#N)/S(=O)(=O)C2=CC=CC=C2)/S1)CCC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O2S2/c1-16-15-22(13-12-17-8-4-2-5-9-17)20(25-16)19(14-21)26(23,24)18-10-6-3-7-11-18/h2-11,15H,12-13H2,1H3/b20-19-