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

Systemtic Name: 2-[[4-methyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-methyl-5-[3-(1-piperidylsulfonyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-methyl-5-[3-(1-piperidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-methyl-5-(3-piperidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-methyl-5-(3-piperidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H21N5O3S2 MolecularWeight: 395.49964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C16H21N5O3S2/c1-20-15(18-19-16(20)25-11-14(17)22)12-6-5-7-13(10-12)26(23,24)21-8-3-2-4-9-21/h5-7,10H,2-4,8-9,11H2,1H3,(H2,17,22)