(E)-3-[5-[(2-bromanylphenoxy)methyl]-2,4-dimethyl-phenyl]-2-cyano-prop-2-enethioamide

Systemtic Name: (E)-3-[5-[(2-bromanylphenoxy)methyl]-2,4-dimethyl-phenyl]-2-cyano-prop-2-enethioamide Openeye Name: (E)-3-[5-[(2-bromophenoxy)methyl]-2,4-dimethyl-phenyl]-2-cyano-prop-2-enethioamide CAS Name: (E)-3-[5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl]-2-cyano-2-propenethioamide IUPAC Name: (E)-3-[5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl]-2-cyanoprop-2-enethioamide Traditional Name: (E)-3-[5-[(2-bromophenoxy)methyl]-2,4-dimethyl-phenyl]-2-cyano-thioacrylamide Formula: C19H17BrN2OS MolecularWeight: 401.32008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C(C#N)C(=S)N)COC2=CC=CC=C2Br)C

Isomeric SMILES

CC1=CC(=C(C=C1/C=C(\C#N)/C(=S)N)COC2=CC=CC=C2Br)C

InChI

InChI=1S/C19H17BrN2OS/c1-12-7-13(2)16(9-14(12)8-15(10-21)19(22)24)11-23-18-6-4-3-5-17(18)20/h3-9H,11H2,1-2H3,(H2,22,24)/b15-8+