2-isothiocyanato-5-sulfonyl-cyclohexa-1,3-diene

Systemtic Name: 2-isothiocyanato-5-sulfonyl-cyclohexa-1,3-diene Openeye Name: 2-isothiocyanato-5-sulfonyl-cyclohexa-1,3-diene CAS Name: 2-isothiocyanato-5-sulfonylcyclohexa-1,3-diene IUPAC Name: 2-isothiocyanato-5-sulfonylcyclohexa-1,3-diene Traditional Name: 2-isothiocyanato-5-sulfonyl-cyclohexa-1,3-diene Formula: C7H5NO2S2 MolecularWeight: 199.2501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=CC1=S(=O)=O)N=C=S

Isomeric SMILES

C1C=C(C=CC1=S(=O)=O)N=C=S

InChI

InChI=1S/C7H5NO2S2/c9-12(10)7-3-1-6(2-4-7)8-5-11/h1-3H,4H2