N,N-diethyl-3-isothiocyanato-4-methyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-3-isothiocyanato-4-methyl-benzenesulfonamide Openeye Name: N,N-diethyl-3-isothiocyanato-4-methyl-benzenesulfonamide CAS Name: N,N-diethyl-3-isothiocyanato-4-methylbenzenesulfonamide IUPAC Name: N,N-diethyl-3-isothiocyanato-4-methylbenzenesulfonamide Traditional Name: N,N-diethyl-3-isothiocyanato-4-methyl-benzenesulfonamide Formula: C12H16N2O2S2 MolecularWeight: 284.39764

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)N=C=S

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)N=C=S

InChI

InChI=1S/C12H16N2O2S2/c1-4-14(5-2)18(15,16)11-7-6-10(3)12(8-11)13-9-17/h6-8H,4-5H2,1-3H3