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

Systemtic Name: 5-methyl-4-phenyl-2-[[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-methyl-4-phenyl-2-[[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-methyl-4-phenyl-2-[[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-4-phenyl-2-[[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-methyl-4-phenyl-2-[[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C20H25N6S+ MolecularWeight: 381.5177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2=CC=CC=C2)C[NH+]3CCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

CC1=NN(C(=S)N1C2=CC=CC=C2)C[NH+]3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C20H24N6S/c1-17-22-25(20(27)26(17)19-8-3-2-4-9-19)16-24-13-11-23(12-14-24)15-18-7-5-6-10-21-18/h2-10H,11-16H2,1H3/p+1