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

Systemtic Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: (2S)-1-(4-ethyl-1-piperazin-4-iumyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C18H26N5OS+ MolecularWeight: 360.49694

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)SC2=NN=C(N2C)C3=CC=CC=C3

InChI

InChI=1S/C18H25N5OS/c1-4-22-10-12-23(13-11-22)17(24)14(2)25-18-20-19-16(21(18)3)15-8-6-5-7-9-15/h5-9,14H,4,10-13H2,1-3H3/p+1/t14-/m0/s1