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

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enethioamide Openeye Name: (E)-2-cyano-3-[2,5-dimethyl-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enethioamide CAS Name: (E)-2-cyano-3-[2,5-dimethyl-3-[(4-methylphenoxy)methyl]phenyl]-2-propenethioamide IUPAC Name: (E)-2-cyano-3-[2,5-dimethyl-3-[(4-methylphenoxy)methyl]phenyl]prop-2-enethioamide Traditional Name: (E)-2-cyano-3-[2,5-dimethyl-3-[(4-methylphenoxy)methyl]phenyl]thioacrylamide Formula: C20H20N2OS MolecularWeight: 336.4506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=C(C(=CC(=C2)C)C=C(C#N)C(=S)N)C

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=C(C(=CC(=C2)C)/C=C(\C#N)/C(=S)N)C

InChI

InChI=1S/C20H20N2OS/c1-13-4-6-19(7-5-13)23-12-18-9-14(2)8-16(15(18)3)10-17(11-21)20(22)24/h4-10H,12H2,1-3H3,(H2,22,24)/b17-10+