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

Systemtic Name: 2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2S)-2-ethyl-1-piperidyl]methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(2S)-2-ethyl-1-piperidinyl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2S)-2-ethylpiperidino]methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C16H23N5S MolecularWeight: 317.45232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CN2C(=S)N(C(=N2)C3=CC=NC=C3)C

Isomeric SMILES

CC[C@H]1CCCCN1CN2C(=S)N(C(=N2)C3=CC=NC=C3)C

InChI

InChI=1S/C16H23N5S/c1-3-14-6-4-5-11-20(14)12-21-16(22)19(2)15(18-21)13-7-9-17-10-8-13/h7-10,14H,3-6,11-12H2,1-2H3/t14-/m0/s1