5-(5-chloranyl-2-methoxy-phenyl)-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-2-[[(2S)-2-ethyl-1-piperidyl]methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(5-chloro-2-methoxyphenyl)-2-[[(2S)-2-ethyl-1-piperidinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-2-[[(2S)-2-ethylpiperidino]methyl]-1H-1,2,4-triazole-3-thione Formula: C17H23ClN4OS MolecularWeight: 366.90872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CN2C(=S)N=C(N2)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN4OS/c1-3-13-6-4-5-9-21(13)11-22-17(24)19-16(20-22)14-10-12(18)7-8-15(14)23-2/h7-8,10,13H,3-6,9,11H2,1-2H3,(H,19,20,24)/t13-/m0/s1