(E)-2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enethioamide

Systemtic Name: (E)-2-cyano-3-[(3,5-dimethoxyphenyl)amino]prop-2-enethioamide Openeye Name: (E)-2-cyano-3-(3,5-dimethoxyanilino)prop-2-enethioamide CAS Name: (E)-2-cyano-3-(3,5-dimethoxyanilino)-2-propenethioamide IUPAC Name: (E)-2-cyano-3-(3,5-dimethoxyanilino)prop-2-enethioamide Traditional Name: (E)-2-cyano-3-(3,5-dimethoxyanilino)thioacrylamide Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2S/c1-16-10-3-9(4-11(5-10)17-2)15-7-8(6-13)12(14)18/h3-5,7,15H,1-2H3,(H2,14,18)/b8-7+