[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3,5-diethyl-phenyl] thiocyanate

Systemtic Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3,5-diethyl-phenyl] thiocyanate Openeye Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3,5-diethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3,5-diethylphenyl] ester IUPAC Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3,5-diethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3,5-diethyl-phenyl] ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)CC)SC#N

Isomeric SMILES

CCC1=CC(=CC(=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)CC)SC#N

InChI

InChI=1S/C19H20N2O4S2/c1-3-13-9-15(26-12-20)10-14(4-2)19(13)21-27(22,23)16-5-6-17-18(11-16)25-8-7-24-17/h5-6,9-11,21H,3-4,7-8H2,1-2H3