4-butyl-3-[4-(phenylsulfonyl)phenyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-butyl-3-[4-(phenylsulfonyl)phenyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-[4-(benzenesulfonyl)phenyl]-4-butyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[4-(benzenesulfonyl)phenyl]-4-butyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[4-(benzenesulfonyl)phenyl]-4-butyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-besylphenyl)-4-butyl-1H-1,2,4-triazole-5-thione Formula: C18H19N3O2S2 MolecularWeight: 373.49236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=NNC1=S)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19N3O2S2/c1-2-3-13-21-17(19-20-18(21)24)14-9-11-16(12-10-14)25(22,23)15-7-5-4-6-8-15/h4-12H,2-3,13H2,1H3,(H,20,24)