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

Systemtic Name: 4-methyl-3-[2-oxidanylidene-2-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-methyl-3-[2-oxo-2-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-methyl-3-[[2-oxo-2-[4-[(1R)-1-phenylethyl]-1-piperazin-4-iumyl]ethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-methyl-3-[2-oxo-2-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]ethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]ethyl]thio]-4-methyl-1H-1,2,4-triazol-5-one Formula: C17H24N5O2S+ MolecularWeight: 362.46976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)CSC3=NNC(=O)N3C

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH+]2CCN(CC2)C(=O)CSC3=NNC(=O)N3C

InChI

InChI=1S/C17H23N5O2S/c1-13(14-6-4-3-5-7-14)21-8-10-22(11-9-21)15(23)12-25-17-19-18-16(24)20(17)2/h3-7,13H,8-12H2,1-2H3,(H,18,24)/p+1/t13-/m1/s1