2,3-dimethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2,3-dimethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-5-nitro-benzenesulfonamide Openeye Name: 2,3-dimethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-5-nitro-benzenesulfonamide CAS Name: 2,3-dimethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2,3-dimethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-5-nitrobenzenesulfonamide Traditional Name: 2,3-dimethyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-5-nitro-benzenesulfonamide Formula: C17H17N5O4S2 MolecularWeight: 419.47798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4S2/c1-11-8-14(22(23)24)9-16(12(11)2)28(25,26)20-13-4-6-15(7-5-13)27-17-19-18-10-21(17)3/h4-10,20H,1-3H3