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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-(2-isopropylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-(4-methoxyphenyl)-4-o-cumenyl-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCCCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCCCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H30N4O2S/c1-18(2)21-9-5-6-10-22(21)29-24(19-11-13-20(31-3)14-12-19)26-27-25(29)32-17-23(30)28-15-7-4-8-16-28/h5-6,9-14,18H,4,7-8,15-17H2,1-3H3