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

Systemtic Name: 2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-[[(2S)-2-ethyl-1-piperidyl]methyl]-4-methyl-5-(o-tolyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(2S)-2-ethyl-1-piperidinyl]methyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-4-methyl-5-(2-methylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[[(2S)-2-ethylpiperidino]methyl]-4-methyl-5-(o-tolyl)-1,2,4-triazole-3-thione Formula: C18H26N4S MolecularWeight: 330.49084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CN2C(=S)N(C(=N2)C3=CC=CC=C3C)C

Isomeric SMILES

CC[C@H]1CCCCN1CN2C(=S)N(C(=N2)C3=CC=CC=C3C)C

InChI

InChI=1S/C18H26N4S/c1-4-15-10-7-8-12-21(15)13-22-18(23)20(3)17(19-22)16-11-6-5-9-14(16)2/h5-6,9,11,15H,4,7-8,10,12-13H2,1-3H3/t15-/m0/s1