4-butyl-3-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]thio]-4-butyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-butyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(4-besylpiperazino)-2-keto-ethyl]thio]-4-butyl-1H-1,2,4-triazol-5-one Formula: C18H25N5O4S2 MolecularWeight: 439.5522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H25N5O4S2/c1-2-3-9-23-17(25)19-20-18(23)28-14-16(24)21-10-12-22(13-11-21)29(26,27)15-7-5-4-6-8-15/h4-8H,2-3,9-14H2,1H3,(H,19,25)