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

Systemtic Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C22H24N4O2S MolecularWeight: 408.51656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCCCC4

InChI

InChI=1S/C22H24N4O2S/c1-28-19-12-8-9-17(15-19)21-23-24-22(26(21)18-10-4-2-5-11-18)29-16-20(27)25-13-6-3-7-14-25/h2,4-5,8-12,15H,3,6-7,13-14,16H2,1H3