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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC(=O)C3=CC=CC=C3)N4CCCCC4

InChI

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