N-(4-bromophenyl)-2-cyano-2-(4-methylphenyl)sulfonyl-ethanethioamide

Systemtic Name: N-(4-bromophenyl)-2-cyano-2-(4-methylphenyl)sulfonyl-ethanethioamide Openeye Name: N-(4-bromophenyl)-2-cyano-2-(p-tolylsulfonyl)thioacetamide CAS Name: N-(4-bromophenyl)-2-cyano-2-(4-methylphenyl)sulfonylethanethioamide IUPAC Name: N-(4-bromophenyl)-2-cyano-2-(4-methylphenyl)sulfonylethanethioamide Traditional Name: N-(4-bromophenyl)-2-cyano-2-tosyl-thioacetamide Formula: C16H13BrN2O2S2 MolecularWeight: 409.32062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C(=S)NC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C(=S)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H13BrN2O2S2/c1-11-2-8-14(9-3-11)23(20,21)15(10-18)16(22)19-13-6-4-12(17)5-7-13/h2-9,15H,1H3,(H,19,22)