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

Systemtic Name: 3-[3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]-2-cyano-prop-2-enethioamide Openeye Name: 3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]-2-cyano-prop-2-enethioamide CAS Name: 3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]-2-cyano-2-propenethioamide IUPAC Name: 3-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]-2-cyanoprop-2-enethioamide Traditional Name: 3-[3-bromo-4-(4-chlorobenzyl)oxy-5-methoxy-phenyl]-2-cyano-thioacrylamide Formula: C18H14BrClN2O2S MolecularWeight: 437.73796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=S)N)Br)OCC2=CC=C(C=C2)Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C(=S)N)Br)OCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H14BrClN2O2S/c1-23-16-8-12(6-13(9-21)18(22)25)7-15(19)17(16)24-10-11-2-4-14(20)5-3-11/h2-8H,10H2,1H3,(H2,22,25)