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

Systemtic Name: 5-(2-methoxyphenyl)-4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(2-methoxyphenyl)-4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-methoxyphenyl)-4-methyl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(2-methoxyphenyl)-4-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(2-methoxyphenyl)-4-methyl-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C19H24N7OS+ MolecularWeight: 398.50516

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=C4OC

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=C4OC

InChI

InChI=1S/C19H23N7OS/c1-23-17(15-6-3-4-7-16(15)27-2)22-26(19(23)28)14-24-10-12-25(13-11-24)18-20-8-5-9-21-18/h3-9H,10-14H2,1-2H3/p+1