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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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