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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=C(C#N)C(=S)N)C)COC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)/C=C(\C#N)/C(=S)N)C)COC2=CC=C(C=C2)Br

InChI

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