2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenethylpiperidin-1-yl)ethanone

Systemtic Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenethylpiperidin-1-yl)ethanone Openeye Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-(4-phenethyl-1-piperidyl)ethanone CAS Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenethyl-1-piperidinyl)ethanone IUPAC Name: 2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenethylpiperidin-1-yl)ethanone Traditional Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-(4-phenethylpiperidino)ethanone Formula: C24H28N4OS MolecularWeight: 420.57032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N3CCC(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CC(=O)N3CCC(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H28N4OS/c1-18-6-5-9-21(16-18)23-25-26-24(30)28(23)17-22(29)27-14-12-20(13-15-27)11-10-19-7-3-2-4-8-19/h2-9,16,20H,10-15,17H2,1H3,(H,26,30)