3-[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-(4-piperidinosulfonylphenyl)ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C18H24N4O4S2 MolecularWeight: 424.53756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4S2/c1-2-10-22-17(24)19-20-18(22)27-13-16(23)14-6-8-15(9-7-14)28(25,26)21-11-4-3-5-12-21/h6-9H,2-5,10-13H2,1H3,(H,19,24)