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

Systemtic Name: 4-(2,4-dimethylphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(2,4-dimethylphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-(2,4-dimethylphenyl)-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(2,4-dimethylphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(2,4-dimethylphenyl)-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C19H24N7S+ MolecularWeight: 382.50576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=NN(C2=S)C[NH+]3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=NN(C2=S)C[NH+]3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C19H23N7S/c1-15-4-5-17(16(2)12-15)25-13-22-26(19(25)27)14-23-8-10-24(11-9-23)18-20-6-3-7-21-18/h3-7,12-13H,8-11,14H2,1-2H3/p+1