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

Systemtic Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C16H20N4O2S MolecularWeight: 332.4206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=NN=C2SCC(=O)N3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN=C2SCC(=O)N3CCCCC3

InChI

InChI=1S/C16H20N4O2S/c1-22-14-7-5-6-13(10-14)20-12-17-18-16(20)23-11-15(21)19-8-3-2-4-9-19/h5-7,10,12H,2-4,8-9,11H2,1H3