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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC(=C(C#N)C(=O)NCCC2=CC=CC=C2)SCC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=CC=C1CSC(=C(C#N)C(=O)NCCC2=CC=CC=C2)SCC3=CC=CC=C3C

InChI

InChI=1S/C28H28N2OS2/c1-21-10-6-8-14-24(21)19-32-28(33-20-25-15-9-7-11-22(25)2)26(18-29)27(31)30-17-16-23-12-4-3-5-13-23/h3-15H,16-17,19-20H2,1-2H3,(H,30,31)