3-[4-[(4-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enyl-phenyl]-2-cyano-prop-2-enethioamide

Systemtic Name: 3-[4-[(4-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enyl-phenyl]-2-cyano-prop-2-enethioamide Openeye Name: 3-[3-allyl-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]-2-cyano-prop-2-enethioamide CAS Name: 3-[4-[(4-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]-2-cyano-2-propenethioamide IUPAC Name: 3-[4-[(4-chlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]-2-cyanoprop-2-enethioamide Traditional Name: 3-[3-allyl-4-(4-chlorobenzyl)oxy-5-methoxy-phenyl]-2-cyano-thioacrylamide Formula: C21H19ClN2O2S MolecularWeight: 398.90576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=C(C=C2)Cl)CC=C)C=C(C#N)C(=S)N

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=C(C=C2)Cl)CC=C)C=C(C#N)C(=S)N

InChI

InChI=1S/C21H19ClN2O2S/c1-3-4-16-9-15(10-17(12-23)21(24)27)11-19(25-2)20(16)26-13-14-5-7-18(22)8-6-14/h3,5-11H,1,4,13H2,2H3,(H2,24,27)