N-(5-azanyl-1-quinoxalin-2-yl-1,2,4-triazol-3-yl)-4-chloranyl-5-methyl-2-sulfanyl-benzenesulfonamide

Systemtic Name: N-(5-azanyl-1-quinoxalin-2-yl-1,2,4-triazol-3-yl)-4-chloranyl-5-methyl-2-sulfanyl-benzenesulfonamide Openeye Name: N-(5-amino-1-quinoxalin-2-yl-1,2,4-triazol-3-yl)-4-chloro-5-methyl-2-sulfanyl-benzenesulfonamide CAS Name: N-[5-amino-1-(2-quinoxalinyl)-1,2,4-triazol-3-yl]-4-chloro-2-mercapto-5-methylbenzenesulfonamide IUPAC Name: N-(5-amino-1-quinoxalin-2-yl-1,2,4-triazol-3-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide Traditional Name: N-(5-amino-1-quinoxalin-2-yl-1,2,4-triazol-3-yl)-4-chloro-2-mercapto-5-methyl-benzenesulfonamide Formula: C17H14ClN7O2S2 MolecularWeight: 447.92176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN(C(=N2)N)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN(C(=N2)N)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C17H14ClN7O2S2/c1-9-6-14(13(28)7-10(9)18)29(26,27)24-17-22-16(19)25(23-17)15-8-20-11-4-2-3-5-12(11)21-15/h2-8,28H,1H3,(H3,19,22,23,24)