(E)-3-(2-tert-butylsulfanylphenyl)-2-cyano-prop-2-enethioamide

Systemtic Name: (E)-3-(2-tert-butylsulfanylphenyl)-2-cyano-prop-2-enethioamide Openeye Name: (E)-3-(2-tert-butylsulfanylphenyl)-2-cyano-prop-2-enethioamide CAS Name: (E)-3-[2-(tert-butylthio)phenyl]-2-cyano-2-propenethioamide IUPAC Name: (E)-3-(2-tert-butylsulfanylphenyl)-2-cyanoprop-2-enethioamide Traditional Name: (E)-3-[2-(tert-butylthio)phenyl]-2-cyano-thioacrylamide Formula: C14H16N2S2 MolecularWeight: 276.42024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=CC=C1C=C(C#N)C(=S)N

Isomeric SMILES

CC(C)(C)SC1=CC=CC=C1/C=C(\C#N)/C(=S)N

InChI

InChI=1S/C14H16N2S2/c1-14(2,3)18-12-7-5-4-6-10(12)8-11(9-15)13(16)17/h4-8H,1-3H3,(H2,16,17)/b11-8+