4-cyclopropyl-5-pyridin-3-yl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclopropyl-5-pyridin-3-yl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-5-(3-pyridyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-5-(3-pyridinyl)-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-5-pyridin-3-yl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-5-(3-pyridyl)-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C19H23N8S+ MolecularWeight: 395.50452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=NC=CC=N4)C5=CN=CC=C5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=NC=CC=N4)C5=CN=CC=C5

InChI

InChI=1S/C19H22N8S/c28-19-26(14-24-9-11-25(12-10-24)18-21-7-2-8-22-18)23-17(27(19)16-4-5-16)15-3-1-6-20-13-15/h1-3,6-8,13,16H,4-5,9-12,14H2/p+1