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

Systemtic Name: 5-methyl-4-(4-methylphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-methyl-4-(p-tolyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-methyl-4-(4-methylphenyl)-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-4-(4-methylphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-methyl-4-(p-tolyl)-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C19H24N7S+ MolecularWeight: 382.50576

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