2-cyano-N-(4-ethylphenyl)-3,3-bis[(2-methylphenyl)methylsulfanyl]prop-2-enamide

Systemtic Name: 2-cyano-N-(4-ethylphenyl)-3,3-bis[(2-methylphenyl)methylsulfanyl]prop-2-enamide Openeye Name: 2-cyano-N-(4-ethylphenyl)-3,3-bis(o-tolylmethylsulfanyl)prop-2-enamide CAS Name: 2-cyano-N-(4-ethylphenyl)-3,3-bis[(2-methylphenyl)methylthio]-2-propenamide IUPAC Name: 2-cyano-N-(4-ethylphenyl)-3,3-bis[(2-methylphenyl)methylsulfanyl]prop-2-enamide Traditional Name: 2-cyano-N-(4-ethylphenyl)-3,3-bis[(2-methylbenzyl)thio]acrylamide Formula: C28H28N2OS2 MolecularWeight: 472.66472

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(=C(SCC2=CC=CC=C2C)SCC3=CC=CC=C3C)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(=C(SCC2=CC=CC=C2C)SCC3=CC=CC=C3C)C#N

InChI

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