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

Systemtic Name: 4-methyl-5-(phenylmethyl)-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-4-methyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-methyl-5-(phenylmethyl)-2-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-4-methyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-4-methyl-2-[(4-pyridin-1-ium-4-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:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H24N6S/c1-23-19(15-17-5-3-2-4-6-17)22-26(20(23)27)16-24-11-13-25(14-12-24)18-7-9-21-10-8-18/h2-10H,11-16H2,1H3/p+2