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

Systemtic Name: N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-nitro-benzenesulfonamide CAS Name: N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-nitrobenzenesulfonamide IUPAC Name: N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[1-(3-chlorobenzyl)-1,2,4-triazol-3-yl]-3-nitro-benzenesulfonamide Formula: C15H12ClN5O4S MolecularWeight: 393.80488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN5O4S/c16-12-4-1-3-11(7-12)9-20-10-17-15(18-20)19-26(24,25)14-6-2-5-13(8-14)21(22)23/h1-8,10H,9H2,(H,18,19)