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

Systemtic Name: 4-chloranyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-3-nitro-benzenesulfonamide Formula: C15H12ClN5O4S2 MolecularWeight: 425.86988

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN5O4S2/c1-20-9-17-18-15(20)26-11-4-2-10(3-5-11)19-27(24,25)12-6-7-13(16)14(8-12)21(22)23/h2-9,19H,1H3