5-isothiocyanato-1,3-dimethyl-2-nitro-benzene

Systemtic Name: 5-isothiocyanato-1,3-dimethyl-2-nitro-benzene Openeye Name: 5-isothiocyanato-1,3-dimethyl-2-nitro-benzene CAS Name: 5-isothiocyanato-1,3-dimethyl-2-nitrobenzene IUPAC Name: 5-isothiocyanato-1,3-dimethyl-2-nitrobenzene Traditional Name: 5-isothiocyanato-1,3-dimethyl-2-nitro-benzene Formula: C9H8N2O2S MolecularWeight: 208.23702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1[N+](=O)[O-])C)N=C=S

Isomeric SMILES

CC1=CC(=CC(=C1[N+](=O)[O-])C)N=C=S

InChI

InChI=1S/C9H8N2O2S/c1-6-3-8(10-5-14)4-7(2)9(6)11(12)13/h3-4H,1-2H3