(7-chloranylthieno[2,3-f][1,3]benzodioxol-6-yl)-isothiocyanato-methanone

Systemtic Name: (7-chloranylthieno[2,3-f][1,3]benzodioxol-6-yl)-isothiocyanato-methanone Openeye Name: 7-chlorothieno[2,3-f][1,3]benzodioxole-6-carbonyl isothiocyanate CAS Name: (7-chloro-6-thieno[2,3-f][1,3]benzodioxolyl)-isothiocyanatomethanone IUPAC Name: 7-chlorothieno[2,3-f][1,3]benzodioxole-6-carbonyl isothiocyanate Traditional Name: (7-chlorothieno[2,3-f][1,3]benzodioxol-6-yl)-isothiocyanato-methanone Formula: C11H4ClNO3S2 MolecularWeight: 297.73736

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C3C(=C2)C(=C(S3)C(=O)N=C=S)Cl

Isomeric SMILES

C1OC2=C(O1)C=C3C(=C2)C(=C(S3)C(=O)N=C=S)Cl

InChI

InChI=1S/C11H4ClNO3S2/c12-9-5-1-6-7(16-4-15-6)2-8(5)18-10(9)11(14)13-3-17/h1-2H,4H2