4-chloranyl-N-[5-[(3-methoxyphenyl)amino]-1H-1,2,4-triazol-3-yl]-5-methyl-2-sulfanyl-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[5-[(3-methoxyphenyl)amino]-1H-1,2,4-triazol-3-yl]-5-methyl-2-sulfanyl-benzenesulfonamide Openeye Name: 4-chloro-N-[5-(3-methoxyanilino)-1H-1,2,4-triazol-3-yl]-5-methyl-2-sulfanyl-benzenesulfonamide CAS Name: 4-chloro-2-mercapto-N-[5-(3-methoxyanilino)-1H-1,2,4-triazol-3-yl]-5-methylbenzenesulfonamide IUPAC Name: 4-chloro-N-[5-(3-methoxyanilino)-1H-1,2,4-triazol-3-yl]-5-methyl-2-sulfanylbenzenesulfonamide Traditional Name: 4-chloro-N-[5-(m-anisidino)-1H-1,2,4-triazol-3-yl]-2-mercapto-5-methyl-benzenesulfonamide Formula: C16H16ClN5O3S2 MolecularWeight: 425.91294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN5O3S2/c1-9-6-14(13(26)8-12(9)17)27(23,24)22-16-19-15(20-21-16)18-10-4-3-5-11(7-10)25-2/h3-8,26H,1-2H3,(H3,18,19,20,21,22)