[3-ethyl-4-[(phenylmethyl)sulfonylamino]phenyl] thiocyanate

Systemtic Name: [3-ethyl-4-[(phenylmethyl)sulfonylamino]phenyl] thiocyanate Openeye Name: [4-(benzylsulfonylamino)-3-ethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [3-ethyl-4-[(phenylmethyl)sulfonylamino]phenyl] ester IUPAC Name: [4-(benzylsulfonylamino)-3-ethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-(benzylsulfonylamino)-3-ethyl-phenyl] ester Formula: C16H16N2O2S2 MolecularWeight: 332.44044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)SC#N)NS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCC1=C(C=CC(=C1)SC#N)NS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O2S2/c1-2-14-10-15(21-12-17)8-9-16(14)18-22(19,20)11-13-6-4-3-5-7-13/h3-10,18H,2,11H2,1H3