2-[2-(4-methylphenyl)sulfonyl-4-phenoxy-phenoxy]ethyl thiocyanate

Systemtic Name: 2-[2-(4-methylphenyl)sulfonyl-4-phenoxy-phenoxy]ethyl thiocyanate Openeye Name: 2-[4-phenoxy-2-(p-tolylsulfonyl)phenoxy]ethyl thiocyanate CAS Name: thiocyanic acid 2-[2-(4-methylphenyl)sulfonyl-4-phenoxyphenoxy]ethyl ester IUPAC Name: 2-[2-(4-methylphenyl)sulfonyl-4-phenoxyphenoxy]ethyl thiocyanate Traditional Name: thiocyanic acid 2-(4-phenoxy-2-tosyl-phenoxy)ethyl ester Formula: C22H19NO4S2 MolecularWeight: 425.52056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)OC3=CC=CC=C3)OCCSC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC(=C2)OC3=CC=CC=C3)OCCSC#N

InChI

InChI=1S/C22H19NO4S2/c1-17-7-10-20(11-8-17)29(24,25)22-15-19(27-18-5-3-2-4-6-18)9-12-21(22)26-13-14-28-16-23/h2-12,15H,13-14H2,1H3