4-(4-ethoxyphenyl)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 4-(4-ethoxyphenyl)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-(4-ethoxyphenyl)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-ethoxyphenyl)-2-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-(4-ethoxyphenyl)-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-p-phenetyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C23H30N5OS+ MolecularWeight: 424.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)OCC

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)OCC

InChI

InChI=1S/C23H29N5OS/c1-3-19-7-5-6-16-26(19)17-27-23(30)28(20-8-10-21(11-9-20)29-4-2)22(25-27)18-12-14-24-15-13-18/h8-15,19H,3-7,16-17H2,1-2H3/p+1/t19-/m0/s1