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

Systemtic Name: 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(1-piperidylsulfonyl)phenyl]ethanone CAS Name: 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-[4-(1-piperidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]-1-(4-piperidinosulfonylphenyl)ethanone Formula: C23H26N4O3S2 MolecularWeight: 470.60754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H26N4O3S2/c1-17-8-4-5-9-20(17)22-24-25-23(26(22)2)31-16-21(28)18-10-12-19(13-11-18)32(29,30)27-14-6-3-7-15-27/h4-5,8-13H,3,6-7,14-16H2,1-2H3