4-phenyl-2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-phenyl-2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-besylpiperazin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C19H22N5O2S2+ MolecularWeight: 416.54028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)N(C=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)N(C=N2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H21N5O2S2/c25-28(26,18-9-5-2-6-10-18)22-13-11-21(12-14-22)16-24-19(27)23(15-20-24)17-7-3-1-4-8-17/h1-10,15H,11-14,16H2/p+1