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

Systemtic Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-phenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-4-phenyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-phenyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-phenyl-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C21H26N5S+ MolecularWeight: 380.52964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5S/c1-2-18-10-6-7-14-24(18)16-25-21(27)26(19-11-4-3-5-12-19)20(23-25)17-9-8-13-22-15-17/h3-5,8-9,11-13,15,18H,2,6-7,10,14,16H2,1H3/p+1/t18-/m0/s1