4-isothiocyanato-N-(2,4,6-trimethylphenyl)benzenesulfonamide

Systemtic Name: 4-isothiocyanato-N-(2,4,6-trimethylphenyl)benzenesulfonamide Openeye Name: 4-isothiocyanato-N-(2,4,6-trimethylphenyl)benzenesulfonamide CAS Name: 4-isothiocyanato-N-(2,4,6-trimethylphenyl)benzenesulfonamide IUPAC Name: 4-isothiocyanato-N-(2,4,6-trimethylphenyl)benzenesulfonamide Traditional Name: 4-isothiocyanato-N-mesityl-benzenesulfonamide Formula: C16H16N2O2S2 MolecularWeight: 332.44044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)N=C=S)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)N=C=S)C

InChI

InChI=1S/C16H16N2O2S2/c1-11-8-12(2)16(13(3)9-11)18-22(19,20)15-6-4-14(5-7-15)17-10-21/h4-9,18H,1-3H3