3-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl]thio]-4-methyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]thio]-4-methyl-1H-1,2,4-triazol-5-one Formula: C12H22N5O2S+ MolecularWeight: 300.40038

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)SC2=NNC(=O)N2C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)SC2=NNC(=O)N2C

InChI

InChI=1S/C12H21N5O2S/c1-4-16-5-7-17(8-6-16)10(18)9(2)20-12-14-13-11(19)15(12)3/h9H,4-8H2,1-3H3,(H,13,19)/p+1/t9-/m0/s1