N-[[4-(4-methylphenyl)-5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]methanesulfonamide

Systemtic Name: N-[[4-(4-methylphenyl)-5-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]methanesulfonamide Openeye Name: N-[[5-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide CAS Name: N-[[4-(4-methylphenyl)-5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]methanesulfonamide IUPAC Name: N-[[4-(4-methylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]methanesulfonamide Traditional Name: N-[[5-[(2-keto-2-piperidino-ethyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide Formula: C18H25N5O3S2 MolecularWeight: 423.5528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCCC3)CNS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCCC3)CNS(=O)(=O)C

InChI

InChI=1S/C18H25N5O3S2/c1-14-6-8-15(9-7-14)23-16(12-19-28(2,25)26)20-21-18(23)27-13-17(24)22-10-4-3-5-11-22/h6-9,19H,3-5,10-13H2,1-2H3