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

Systemtic Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(1-piperidylsulfonyl)phenyl]ethanone CAS Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-(1-piperidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-piperidinosulfonylphenyl)ethanone Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H24N4O3S2/c1-17-23-24-22(26(17)19-8-4-2-5-9-19)30-16-21(27)18-10-12-20(13-11-18)31(28,29)25-14-6-3-7-15-25/h2,4-5,8-13H,3,6-7,14-16H2,1H3