1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(2,6-dimethyl-1-piperidyl)-2-[[4-(2-isopropylphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2,6-dimethyl-1-piperidinyl)-2-[[5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(4-methoxyphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(2,6-dimethylpiperidino)-2-[[5-(4-methoxyphenyl)-4-o-cumenyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NN=C(N2C3=CC=CC=C3C(C)C)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1CCCC(N1C(=O)CSC2=NN=C(N2C3=CC=CC=C3C(C)C)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C27H34N4O2S/c1-18(2)23-11-6-7-12-24(23)31-26(21-13-15-22(33-5)16-14-21)28-29-27(31)34-17-25(32)30-19(3)9-8-10-20(30)4/h6-7,11-16,18-20H,8-10,17H2,1-5H3