1-isothiocyanato-2,3-dimethyl-4-nitro-benzene

Systemtic Name: 1-isothiocyanato-2,3-dimethyl-4-nitro-benzene Openeye Name: 1-isothiocyanato-2,3-dimethyl-4-nitro-benzene CAS Name: 1-isothiocyanato-2,3-dimethyl-4-nitrobenzene IUPAC Name: 1-isothiocyanato-2,3-dimethyl-4-nitrobenzene Traditional Name: 1-isothiocyanato-2,3-dimethyl-4-nitro-benzene Formula: C9H8N2O2S MolecularWeight: 208.23702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)[N+](=O)[O-])N=C=S

Isomeric SMILES

CC1=C(C=CC(=C1C)[N+](=O)[O-])N=C=S

InChI

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