2-[bis(phenylmethylsulfanyl)methylidene]-N-(2-methylphenyl)-3-oxidanylidene-butanamide

Systemtic Name: 2-[bis(phenylmethylsulfanyl)methylidene]-N-(2-methylphenyl)-3-oxidanylidene-butanamide Openeye Name: 2-[bis(benzylsulfanyl)methylene]-N-(o-tolyl)-3-oxo-butanamide CAS Name: 2-[bis(phenylmethylthio)methylidene]-N-(2-methylphenyl)-3-oxobutanamide IUPAC Name: 2-[bis(benzylsulfanyl)methylidene]-N-(2-methylphenyl)-3-oxobutanamide Traditional Name: 2-acetyl-3,3-bis(benzylthio)-N-(o-tolyl)acrylamide Formula: C26H25NO2S2 MolecularWeight: 447.6122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=C(SCC2=CC=CC=C2)SCC3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(=C(SCC2=CC=CC=C2)SCC3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C26H25NO2S2/c1-19-11-9-10-16-23(19)27-25(29)24(20(2)28)26(30-17-21-12-5-3-6-13-21)31-18-22-14-7-4-8-15-22/h3-16H,17-18H2,1-2H3,(H,27,29)