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

Systemtic Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3,5-dimethyl-phenyl] thiocyanate Openeye Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3,5-dimethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3,5-dimethylphenyl] ester IUPAC Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3,5-dimethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3,5-dimethyl-phenyl] ester Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCO3)C)SC#N

InChI

InChI=1S/C17H16N2O4S2/c1-11-7-13(24-10-18)8-12(2)17(11)19-25(20,21)14-3-4-15-16(9-14)23-6-5-22-15/h3-4,7-9,19H,5-6H2,1-2H3