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

Systemtic Name: N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-nitro-benzenesulfonamide Openeye Name: N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-nitro-benzenesulfonamide CAS Name: N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-nitrobenzenesulfonamide Traditional Name: N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-4-nitro-benzenesulfonamide Formula: C15H13N5O4S2 MolecularWeight: 391.42482

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O4S2/c1-19-10-16-17-15(19)25-13-6-2-11(3-7-13)18-26(23,24)14-8-4-12(5-9-14)20(21)22/h2-10,18H,1H3