(4-nitrophenyl)methyl thiocyanate

Systemtic Name: (4-nitrophenyl)methyl thiocyanate Openeye Name: (4-nitrophenyl)methyl thiocyanate CAS Name: thiocyanic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl thiocyanate Traditional Name: thiocyanic acid (4-nitrobenzyl) ester Formula: C8H6N2O2S MolecularWeight: 194.21044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC#N)[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O2S/c9-6-13-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5H2