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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC2=NN(C=N2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC2=NN(C=N2)CC3=CC(=CC=C3)Cl

InChI

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