1,3-benzodioxol-5-yl(isothiocyanato)methanone

Systemtic Name: 1,3-benzodioxol-5-yl(isothiocyanato)methanone Openeye Name: 1,3-benzodioxole-5-carbonyl isothiocyanate CAS Name: 1,3-benzodioxol-5-yl(isothiocyanato)methanone IUPAC Name: 1,3-benzodioxole-5-carbonyl isothiocyanate Traditional Name: 1,3-benzodioxol-5-yl(isothiocyanato)methanone Formula: C9H5NO3S MolecularWeight: 207.2059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H5NO3S/c11-9(10-4-14)6-1-2-7-8(3-6)13-5-12-7/h1-3H,5H2