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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenethylpiperidin-1-yl)ethanone Openeye Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenethyl-1-piperidyl)ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-1-(4-phenethyl-1-piperidinyl)ethanone IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenethylpiperidin-1-yl)ethanone Traditional Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-1-(4-phenethylpiperidino)ethanone Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)N3CCC(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)N3CCC(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2S/c1-19-26-27-25(29(19)22-10-12-23(31-2)13-11-22)32-18-24(30)28-16-14-21(15-17-28)9-8-20-6-4-3-5-7-20/h3-7,10-13,21H,8-9,14-18H2,1-2H3