N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-methyl-3-piperidinosulfonyl-phenyl)acetamide Formula: C19H27N5O4S2 MolecularWeight: 453.57878

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H27N5O4S2/c1-3-9-24-18(26)21-22-19(24)29-13-17(25)20-15-8-7-14(2)16(12-15)30(27,28)23-10-5-4-6-11-23/h7-8,12H,3-6,9-11,13H2,1-2H3,(H,20,25)(H,21,26)