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

Systemtic Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(1-piperidylsulfonyl)phenyl]ethanone CAS Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-[4-(1-piperidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-piperidinosulfonylphenyl)ethanone Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C4=CC=NC=C4

InChI

InChI=1S/C21H23N5O3S2/c1-25-20(17-9-11-22-12-10-17)23-24-21(25)30-15-19(27)16-5-7-18(8-6-16)31(28,29)26-13-3-2-4-14-26/h5-12H,2-4,13-15H2,1H3