5-isothiocyanato-1,3-dimethyl-2-(nitromethylsulfonyl)benzene

Systemtic Name: 5-isothiocyanato-1,3-dimethyl-2-(nitromethylsulfonyl)benzene Openeye Name: 5-isothiocyanato-1,3-dimethyl-2-(nitromethylsulfonyl)benzene CAS Name: 5-isothiocyanato-1,3-dimethyl-2-(nitromethylsulfonyl)benzene IUPAC Name: 5-isothiocyanato-1,3-dimethyl-2-(nitromethylsulfonyl)benzene Traditional Name: 5-isothiocyanato-1,3-dimethyl-2-(nitromethylsulfonyl)benzene Formula: C10H10N2O4S2 MolecularWeight: 286.3274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)N=C=S

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)N=C=S

InChI

InChI=1S/C10H10N2O4S2/c1-7-3-9(11-5-17)4-8(2)10(7)18(15,16)6-12(13)14/h3-4H,6H2,1-2H3