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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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