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

Systemtic Name: 4-methyl-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-benzylpiperazin-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-piperazinyl]ethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(4-benzylpiperazino)-2-keto-ethyl]thio]-4-methyl-1H-1,2,4-triazol-5-one Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)NN=C1SCC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)NN=C1SCC(=O)N2CCN(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)