(2-methyl-5-nitro-phenyl) thiocyanate

Systemtic Name: (2-methyl-5-nitro-phenyl) thiocyanate Openeye Name: (2-methyl-5-nitro-phenyl) thiocyanate CAS Name: thiocyanic acid (2-methyl-5-nitrophenyl) ester IUPAC Name: (2-methyl-5-nitrophenyl) thiocyanate Traditional Name: thiocyanic acid (2-methyl-5-nitro-phenyl) ester Formula: C8H6N2O2S MolecularWeight: 194.21044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])SC#N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])SC#N

InChI

InChI=1S/C8H6N2O2S/c1-6-2-3-7(10(11)12)4-8(6)13-5-9/h2-4H,1H3