1-isothiocyanato-2,5-dimethyl-4-nitro-benzene

Systemtic Name: 1-isothiocyanato-2,5-dimethyl-4-nitro-benzene Openeye Name: 1-isothiocyanato-2,5-dimethyl-4-nitro-benzene CAS Name: 1-isothiocyanato-2,5-dimethyl-4-nitrobenzene IUPAC Name: 1-isothiocyanato-2,5-dimethyl-4-nitrobenzene Traditional Name: 1-isothiocyanato-2,5-dimethyl-4-nitro-benzene Formula: C9H8N2O2S MolecularWeight: 208.23702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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