(2R)-2,4,4-tricyano-3-methylsulfanyl-N-(phenylmethyl)but-3-enamide

Systemtic Name: (2R)-2,4,4-tricyano-3-methylsulfanyl-N-(phenylmethyl)but-3-enamide Openeye Name: (2R)-N-benzyl-2,4,4-tricyano-3-methylsulfanyl-but-3-enamide CAS Name: (2R)-2,4,4-tricyano-3-(methylthio)-N-(phenylmethyl)-3-butenamide IUPAC Name: (2R)-N-benzyl-2,4,4-tricyano-3-methylsulfanylbut-3-enamide Traditional Name: (2R)-N-benzyl-2,4,4-tricyano-3-(methylthio)but-3-enamide Formula: C15H12N4OS MolecularWeight: 296.34698

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)C#N)C(C#N)C(=O)NCC1=CC=CC=C1

Isomeric SMILES

CSC(=C(C#N)C#N)[C@H](C#N)C(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C15H12N4OS/c1-21-14(12(7-16)8-17)13(9-18)15(20)19-10-11-5-3-2-4-6-11/h2-6,13H,10H2,1H3,(H,19,20)/t13-/m0/s1