(E)-2-cyano-3-(2,3,4-trimethoxyphenyl)prop-2-enethioamide

Systemtic Name: (E)-2-cyano-3-(2,3,4-trimethoxyphenyl)prop-2-enethioamide Openeye Name: (E)-2-cyano-3-(2,3,4-trimethoxyphenyl)prop-2-enethioamide CAS Name: (E)-2-cyano-3-(2,3,4-trimethoxyphenyl)-2-propenethioamide IUPAC Name: (E)-2-cyano-3-(2,3,4-trimethoxyphenyl)prop-2-enethioamide Traditional Name: (E)-2-cyano-3-(2,3,4-trimethoxyphenyl)thioacrylamide Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=C(C#N)C(=S)N)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)/C=C(\C#N)/C(=S)N)OC)OC

InChI

InChI=1S/C13H14N2O3S/c1-16-10-5-4-8(6-9(7-14)13(15)19)11(17-2)12(10)18-3/h4-6H,1-3H3,(H2,15,19)/b9-6+