4-methyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-methyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one CAS Name: 4-methyl-3-[[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]thio]-4-methyl-1H-1,2,4-triazol-5-one Formula: C16H22N5O2S+ MolecularWeight: 348.44318

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)NN=C1SCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)NN=C1SCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H21N5O2S/c1-19-15(23)17-18-16(19)24-12-14(22)21-9-7-20(8-10-21)11-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H,17,23)/p+1