2-[[4-methyl-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[4-methyl-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-methyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-methyl-5-[2-(4-methylphenyl)-4-quinolinyl]-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-methyl-5-[2-(4-methylphenyl)quinolin-4-yl]-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-methyl-5-[2-(p-tolyl)-4-quinolyl]-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C26H27N5OS MolecularWeight: 457.59048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4C)SCC(=O)N5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(N4C)SCC(=O)N5CCCCC5

InChI

InChI=1S/C26H27N5OS/c1-18-10-12-19(13-11-18)23-16-21(20-8-4-5-9-22(20)27-23)25-28-29-26(30(25)2)33-17-24(32)31-14-6-3-7-15-31/h4-5,8-13,16H,3,6-7,14-15,17H2,1-2H3