(E)-3-[3-bromanyl-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2-cyano-prop-2-enethioamide

Systemtic Name: (E)-3-[3-bromanyl-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2-cyano-prop-2-enethioamide Openeye Name: (E)-3-[3-bromo-5-ethoxy-4-(1-naphthylmethoxy)phenyl]-2-cyano-prop-2-enethioamide CAS Name: (E)-3-[3-bromo-5-ethoxy-4-(1-naphthalenylmethoxy)phenyl]-2-cyano-2-propenethioamide IUPAC Name: (E)-3-[3-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2-cyanoprop-2-enethioamide Traditional Name: (E)-3-[3-bromo-5-ethoxy-4-(1-naphthylmethoxy)phenyl]-2-cyano-thioacrylamide Formula: C23H19BrN2O2S MolecularWeight: 467.37816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=S)N)Br)OCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=S)N)Br)OCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C23H19BrN2O2S/c1-2-27-21-12-15(10-18(13-25)23(26)29)11-20(24)22(21)28-14-17-8-5-7-16-6-3-4-9-19(16)17/h3-12H,2,14H2,1H3,(H2,26,29)/b18-10+