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

Systemtic Name: 4-chloranyl-5-methyl-N-(5-phenylazanyl-1H-1,2,4-triazol-3-yl)-2-sulfanyl-benzenesulfonamide Openeye Name: N-(5-anilino-1H-1,2,4-triazol-3-yl)-4-chloro-5-methyl-2-sulfanyl-benzenesulfonamide CAS Name: N-(5-anilino-1H-1,2,4-triazol-3-yl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide IUPAC Name: N-(5-anilino-1H-1,2,4-triazol-3-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide Traditional Name: N-(5-anilino-1H-1,2,4-triazol-3-yl)-4-chloro-2-mercapto-5-methyl-benzenesulfonamide Formula: C15H14ClN5O2S2 MolecularWeight: 395.88696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)NC3=CC=CC=C3

InChI

InChI=1S/C15H14ClN5O2S2/c1-9-7-13(12(24)8-11(9)16)25(22,23)21-15-18-14(19-20-15)17-10-5-3-2-4-6-10/h2-8,24H,1H3,(H3,17,18,19,20,21)