2-cyano-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enethioamide

Systemtic Name: 2-cyano-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enethioamide Openeye Name: 2-cyano-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enethioamide CAS Name: 2-cyano-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenethioamide IUPAC Name: 2-cyano-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enethioamide Traditional Name: 2-cyano-3-[4-(cyanomethoxy)-3-methoxy-phenyl]thioacrylamide Formula: C13H11N3O2S MolecularWeight: 273.31034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=S)N)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=S)N)OCC#N

InChI

InChI=1S/C13H11N3O2S/c1-17-12-7-9(6-10(8-15)13(16)19)2-3-11(12)18-5-4-14/h2-3,6-7H,5H2,1H3,(H2,16,19)