3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enethioamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enethioamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enethioamide CAS Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenethioamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enethioamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-thioacrylamide Formula: C11H8N2O2S MolecularWeight: 232.25842

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=S)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=S)N

InChI

InChI=1S/C11H8N2O2S/c12-5-8(11(13)16)3-7-1-2-9-10(4-7)15-6-14-9/h1-4H,6H2,(H2,13,16)