3-nitro-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: N-(1-benzyl-1,2,4-triazol-3-yl)-3-nitro-benzenesulfonamide CAS Name: 3-nitro-N-[1-(phenylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: N-(1-benzyl-1,2,4-triazol-3-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(1-benzyl-1,2,4-triazol-3-yl)-3-nitro-benzenesulfonamide Formula: C15H13N5O4S MolecularWeight: 359.35982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC(=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC(=N2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O4S/c21-20(22)13-7-4-8-14(9-13)25(23,24)18-15-16-11-19(17-15)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,17,18)