5-isothiocyanato-4-methyl-1,3-benzodioxole

Systemtic Name: 5-isothiocyanato-4-methyl-1,3-benzodioxole Openeye Name: 5-isothiocyanato-4-methyl-1,3-benzodioxole CAS Name: 5-isothiocyanato-4-methyl-1,3-benzodioxole IUPAC Name: 5-isothiocyanato-4-methyl-1,3-benzodioxole Traditional Name: 5-isothiocyanato-4-methyl-1,3-benzodioxole Formula: C9H7NO2S MolecularWeight: 193.22238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OCO2)N=C=S

Isomeric SMILES

CC1=C(C=CC2=C1OCO2)N=C=S

InChI

InChI=1S/C9H7NO2S/c1-6-7(10-4-13)2-3-8-9(6)12-5-11-8/h2-3H,5H2,1H3