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

Systemtic Name: 5-methyl-4-(4-methylphenyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-methyl-4-(p-tolyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-methyl-4-(4-methylphenyl)-2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-4-(4-methylphenyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-methyl-4-(p-tolyl)-2-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C20H25N6S+ MolecularWeight: 381.5177

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C20H24N6S/c1-16-6-8-18(9-7-16)26-17(2)22-25(20(26)27)15-23-11-13-24(14-12-23)19-5-3-4-10-21-19/h3-10H,11-15H2,1-2H3/p+1