N-[3-(1,3-benzothiazol-2-ylsulfanyl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)quinoxalin-2-yl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-2-quinoxalinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)quinoxalin-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)quinoxalin-2-yl]-4-methyl-benzenesulfonamide Formula: C22H16N4O2S3 MolecularWeight: 464.58304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2SC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2SC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H16N4O2S3/c1-14-10-12-15(13-11-14)31(27,28)26-20-21(24-17-7-3-2-6-16(17)23-20)30-22-25-18-8-4-5-9-19(18)29-22/h2-13H,1H3,(H,23,26)