2-cyano-N-(2,5-dimethylphenyl)-3,3-bis[(2-methylphenyl)methylsulfanyl]prop-2-enamide

Systemtic Name: 2-cyano-N-(2,5-dimethylphenyl)-3,3-bis[(2-methylphenyl)methylsulfanyl]prop-2-enamide Openeye Name: 2-cyano-N-(2,5-dimethylphenyl)-3,3-bis(o-tolylmethylsulfanyl)prop-2-enamide CAS Name: 2-cyano-N-(2,5-dimethylphenyl)-3,3-bis[(2-methylphenyl)methylthio]-2-propenamide IUPAC Name: 2-cyano-N-(2,5-dimethylphenyl)-3,3-bis[(2-methylphenyl)methylsulfanyl]prop-2-enamide Traditional Name: 2-cyano-N-(2,5-dimethylphenyl)-3,3-bis[(2-methylbenzyl)thio]acrylamide Formula: C28H28N2OS2 MolecularWeight: 472.66472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(=C(SCC2=CC=CC=C2C)SCC3=CC=CC=C3C)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(=C(SCC2=CC=CC=C2C)SCC3=CC=CC=C3C)C#N

InChI

InChI=1S/C28H28N2OS2/c1-19-13-14-22(4)26(15-19)30-27(31)25(16-29)28(32-17-23-11-7-5-9-20(23)2)33-18-24-12-8-6-10-21(24)3/h5-15H,17-18H2,1-4H3,(H,30,31)