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

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

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3)C4=CC=NC=C4

InChI

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