(E)-3-(2-tert-butylsulfanylphenyl)-2-cyano-N-(2-dimethylaminoethyl)prop-2-enamide

Systemtic Name: (E)-3-(2-tert-butylsulfanylphenyl)-2-cyano-N-(2-dimethylaminoethyl)prop-2-enamide Openeye Name: (E)-3-(2-tert-butylsulfanylphenyl)-2-cyano-N-(2-dimethylaminoethyl)prop-2-enamide CAS Name: (E)-3-[2-(tert-butylthio)phenyl]-2-cyano-N-(2-dimethylaminoethyl)-2-propenamide IUPAC Name: (E)-3-(2-tert-butylsulfanylphenyl)-2-cyano-N-(2-dimethylaminoethyl)prop-2-enamide Traditional Name: (E)-3-[2-(tert-butylthio)phenyl]-2-cyano-N-(2-dimethylaminoethyl)acrylamide Formula: C18H25N3OS MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=CC=C1C=C(C#N)C(=O)NCCN(C)C

Isomeric SMILES

CC(C)(C)SC1=CC=CC=C1/C=C(\C#N)/C(=O)NCCN(C)C

InChI

InChI=1S/C18H25N3OS/c1-18(2,3)23-16-9-7-6-8-14(16)12-15(13-19)17(22)20-10-11-21(4)5/h6-9,12H,10-11H2,1-5H3,(H,20,22)/b15-12+