3-(6-chloranyl-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enethioamide

Systemtic Name: 3-(6-chloranyl-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enethioamide Openeye Name: 3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enethioamide CAS Name: 3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-2-propenethioamide IUPAC Name: 3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enethioamide Traditional Name: 3-(6-chloro-1,3-benzodioxol-5-yl)-2-cyano-thioacrylamide Formula: C11H7ClN2O2S MolecularWeight: 266.70348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7ClN2O2S/c12-8-3-10-9(15-5-16-10)2-6(8)1-7(4-13)11(14)17/h1-3H,5H2,(H2,14,17)