5-isothiocyanato-4,7-dimethyl-1,3-benzodioxole

Systemtic Name: 5-isothiocyanato-4,7-dimethyl-1,3-benzodioxole Openeye Name: 5-isothiocyanato-4,7-dimethyl-1,3-benzodioxole CAS Name: 5-isothiocyanato-4,7-dimethyl-1,3-benzodioxole IUPAC Name: 5-isothiocyanato-4,7-dimethyl-1,3-benzodioxole Traditional Name: 5-isothiocyanato-4,7-dimethyl-1,3-benzodioxole Formula: C10H9NO2S MolecularWeight: 207.24896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1OCO2)C)N=C=S

Isomeric SMILES

CC1=CC(=C(C2=C1OCO2)C)N=C=S

InChI

InChI=1S/C10H9NO2S/c1-6-3-8(11-4-14)7(2)10-9(6)12-5-13-10/h3H,5H2,1-2H3