2-[1-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-3-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-4-yl]ethanoate

Systemtic Name: 2-[1-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-3-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-4-yl]ethanoate Openeye Name: 2-[1-[(4-acetylpiperazin-1-ium-1-yl)methyl]-3-(p-tolyl)-5-thioxo-1,2,4-triazol-4-yl]acetate CAS Name: 2-[1-[(4-acetyl-1-piperazin-1-iumyl)methyl]-3-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-4-yl]acetate IUPAC Name: 2-[1-[(4-acetylpiperazin-1-ium-1-yl)methyl]-3-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazol-4-yl]acetate Traditional Name: 2-[1-[(4-acetylpiperazin-1-ium-1-yl)methyl]-3-(p-tolyl)-5-thioxo-1,2,4-triazol-4-yl]acetate Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=S)N2CC(=O)[O-])C[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=S)N2CC(=O)[O-])C[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C18H23N5O3S/c1-13-3-5-15(6-4-13)17-19-23(18(27)22(17)11-16(25)26)12-20-7-9-21(10-8-20)14(2)24/h3-6H,7-12H2,1-2H3,(H,25,26)