3-(2-bromanyl-4-ethoxy-5-methoxy-phenyl)-2-cyano-prop-2-enethioamide

Systemtic Name: 3-(2-bromanyl-4-ethoxy-5-methoxy-phenyl)-2-cyano-prop-2-enethioamide Openeye Name: 3-(2-bromo-4-ethoxy-5-methoxy-phenyl)-2-cyano-prop-2-enethioamide CAS Name: 3-(2-bromo-4-ethoxy-5-methoxyphenyl)-2-cyano-2-propenethioamide IUPAC Name: 3-(2-bromo-4-ethoxy-5-methoxyphenyl)-2-cyanoprop-2-enethioamide Traditional Name: 3-(2-bromo-4-ethoxy-5-methoxy-phenyl)-2-cyano-thioacrylamide Formula: C13H13BrN2O2S MolecularWeight: 341.22352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)Br)C=C(C#N)C(=S)N)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)Br)C=C(C#N)C(=S)N)OC

InChI

InChI=1S/C13H13BrN2O2S/c1-3-18-12-6-10(14)8(5-11(12)17-2)4-9(7-15)13(16)19/h4-6H,3H2,1-2H3,(H2,16,19)