2-nitro-N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]benzenesulfonamide

Systemtic Name: 2-nitro-N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]benzenesulfonamide Openeye Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-nitro-benzenesulfonamide CAS Name: 2-nitro-N-[3-(phenylmethylthio)-1H-1,2,4-triazol-5-yl]benzenesulfonamide IUPAC Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-nitrobenzenesulfonamide Traditional Name: N-[3-(benzylthio)-1H-1,2,4-triazol-5-yl]-2-nitro-benzenesulfonamide Formula: C15H13N5O4S2 MolecularWeight: 391.42482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=N2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=N2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O4S2/c21-20(22)12-8-4-5-9-13(12)26(23,24)19-14-16-15(18-17-14)25-10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,16,17,18,19)