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

Systemtic Name: 4-methyl-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C20H25N6S+ MolecularWeight: 381.5177

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)CC3=CC=CC=C3)C4=CC=NC=C4

InChI

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