2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-piperidin-1-ylethanone Traditional Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]-2-phenyl-1-piperidino-ethanone Formula: C22H23ClN4O2S MolecularWeight: 442.96162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SC(C3=CC=CC=C3)C(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SC(C3=CC=CC=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C22H23ClN4O2S/c1-29-18-11-10-16(23)14-17(18)20-24-22(26-25-20)30-19(15-8-4-2-5-9-15)21(28)27-12-6-3-7-13-27/h2,4-5,8-11,14,19H,3,6-7,12-13H2,1H3,(H,24,25,26)