5-(isothiocyanatomethyl)-1,3-benzodioxole

Systemtic Name: 5-(isothiocyanatomethyl)-1,3-benzodioxole Openeye Name: 5-(isothiocyanatomethyl)-1,3-benzodioxole CAS Name: 5-(isothiocyanatomethyl)-1,3-benzodioxole IUPAC Name: 5-(isothiocyanatomethyl)-1,3-benzodioxole Traditional Name: 5-(isothiocyanatomethyl)-1,3-benzodioxole Formula: C9H7NO2S MolecularWeight: 193.22238

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN=C=S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN=C=S

InChI

InChI=1S/C9H7NO2S/c13-5-10-4-7-1-2-8-9(3-7)12-6-11-8/h1-3H,4,6H2