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

Systemtic Name: 4-ethyl-2-[[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H27N6S+ MolecularWeight: 395.54428

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CC[NH+](CC2C3=CC=CC=C3)C)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CC[NH+](C[C@@H]2C3=CC=CC=C3)C)C4=CC=NC=C4

InChI

InChI=1S/C21H26N6S/c1-3-26-20(18-9-11-22-12-10-18)23-27(21(26)28)16-25-14-13-24(2)15-19(25)17-7-5-4-6-8-17/h4-12,19H,3,13-16H2,1-2H3/p+1/t19-/m1/s1