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

Systemtic Name: (Z)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enethioamide Openeye Name: (Z)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enethioamide CAS Name: (Z)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenethioamide IUPAC Name: (Z)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enethioamide Traditional Name: (Z)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)thioacrylamide Formula: C11H7N3O4S MolecularWeight: 277.25598

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C(=S)N)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C(/C#N)\C(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C11H7N3O4S/c12-4-7(11(13)19)1-6-2-9-10(18-5-17-9)3-8(6)14(15)16/h1-3H,5H2,(H2,13,19)/b7-1-