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

Systemtic Name: 4-cyclopropyl-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-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 4-cyclopropyl-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-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one Formula: C18H24N5O2S+ MolecularWeight: 374.48046

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C18H23N5O2S/c24-16(13-26-18-20-19-17(25)23(18)15-6-7-15)22-10-8-21(9-11-22)12-14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,19,25)/p+1