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

Systemtic Name: 4-butyl-N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide Openeye Name: 4-butyl-N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide CAS Name: 4-butyl-N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide IUPAC Name: 4-butyl-N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide Traditional Name: 4-butyl-N-[1-(3-chlorobenzyl)-1,2,4-triazol-3-yl]benzenesulfonamide Formula: C19H21ClN4O2S MolecularWeight: 404.91364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=N2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=N2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H21ClN4O2S/c1-2-3-5-15-8-10-18(11-9-15)27(25,26)23-19-21-14-24(22-19)13-16-6-4-7-17(20)12-16/h4,6-12,14H,2-3,5,13H2,1H3,(H,22,23)