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

Systemtic Name: 5-methyl-4-(3-methylphenyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-methyl-4-(m-tolyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-methyl-4-(3-methylphenyl)-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-4-(3-methylphenyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-methyl-4-(m-tolyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C20H26N6S+2 MolecularWeight: 382.52564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

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