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

Systemtic Name: 2-cyano-3,3-bis[(2,5-dimethylphenyl)methylsulfanyl]-N-(3-methylphenyl)prop-2-enamide Openeye Name: 2-cyano-3,3-bis[(2,5-dimethylphenyl)methylsulfanyl]-N-(m-tolyl)prop-2-enamide CAS Name: 2-cyano-3,3-bis[(2,5-dimethylphenyl)methylthio]-N-(3-methylphenyl)-2-propenamide IUPAC Name: 2-cyano-3,3-bis[(2,5-dimethylphenyl)methylsulfanyl]-N-(3-methylphenyl)prop-2-enamide Traditional Name: 2-cyano-3,3-bis[(2,5-dimethylbenzyl)thio]-N-(m-tolyl)acrylamide Formula: C29H30N2OS2 MolecularWeight: 486.6913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(=C(SCC2=C(C=CC(=C2)C)C)SCC3=C(C=CC(=C3)C)C)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(=C(SCC2=C(C=CC(=C2)C)C)SCC3=C(C=CC(=C3)C)C)C#N

InChI

InChI=1S/C29H30N2OS2/c1-19-7-6-8-26(15-19)31-28(32)27(16-30)29(33-17-24-13-20(2)9-11-22(24)4)34-18-25-14-21(3)10-12-23(25)5/h6-15H,17-18H2,1-5H3,(H,31,32)