N-[3-(cyanomethylsulfanyl)quinoxalin-2-yl]-N,4-dimethyl-benzenesulfonamide

Systemtic Name: N-[3-(cyanomethylsulfanyl)quinoxalin-2-yl]-N,4-dimethyl-benzenesulfonamide Openeye Name: N-[3-(cyanomethylsulfanyl)quinoxalin-2-yl]-N,4-dimethyl-benzenesulfonamide CAS Name: N-[3-(cyanomethylthio)-2-quinoxalinyl]-N,4-dimethylbenzenesulfonamide IUPAC Name: N-[3-(cyanomethylsulfanyl)quinoxalin-2-yl]-N,4-dimethylbenzenesulfonamide Traditional Name: N-[3-(cyanomethylthio)quinoxalin-2-yl]-N,4-dimethyl-benzenesulfonamide Formula: C18H16N4O2S2 MolecularWeight: 384.47524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=NC3=CC=CC=C3N=C2SCC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=NC3=CC=CC=C3N=C2SCC#N

InChI

InChI=1S/C18H16N4O2S2/c1-13-7-9-14(10-8-13)26(23,24)22(2)17-18(25-12-11-19)21-16-6-4-3-5-15(16)20-17/h3-10H,12H2,1-2H3