[2-(4-nitrophenyl)sulfonyl-1-phenyl-ethyl] thiocyanate

Systemtic Name: [2-(4-nitrophenyl)sulfonyl-1-phenyl-ethyl] thiocyanate Openeye Name: [2-(4-nitrophenyl)sulfonyl-1-phenyl-ethyl] thiocyanate CAS Name: thiocyanic acid [2-(4-nitrophenyl)sulfonyl-1-phenylethyl] ester IUPAC Name: [2-(4-nitrophenyl)sulfonyl-1-phenylethyl] thiocyanate Traditional Name: thiocyanic acid (2-nosyl-1-phenyl-ethyl) ester Formula: C15H12N2O4S2 MolecularWeight: 348.39678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])SC#N

Isomeric SMILES

C1=CC=C(C=C1)C(CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])SC#N

InChI

InChI=1S/C15H12N2O4S2/c16-11-22-15(12-4-2-1-3-5-12)10-23(20,21)14-8-6-13(7-9-14)17(18)19/h1-9,15H,10H2