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

Systemtic Name: 4-cyclopropyl-5-pyridin-4-yl-2-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-5-(4-pyridyl)-2-[[4-(2-thienylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-5-pyridin-4-yl-2-[[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-5-pyridin-4-yl-2-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-5-(4-pyridyl)-2-[[4-(2-thenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C20H25N6S2+ MolecularWeight: 413.5827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)CC4=CC=CS4)C5=CC=NC=C5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)CC4=CC=CS4)C5=CC=NC=C5

InChI

InChI=1S/C20H24N6S2/c27-20-25(15-24-11-9-23(10-12-24)14-18-2-1-13-28-18)22-19(26(20)17-3-4-17)16-5-7-21-8-6-16/h1-2,5-8,13,17H,3-4,9-12,14-15H2/p+1