3-[1-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[1-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[1-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[1-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]-4-ethyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[1-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[1-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C20H29N6O2S+ MolecularWeight: 417.54826

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)CCC(=O)N

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C)CCC(=O)N

InChI

InChI=1S/C20H28N6O2S/c1-3-25-19(9-8-18(21)28)22-26(20(25)29)14-23-10-12-24(13-11-23)17-6-4-16(5-7-17)15(2)27/h4-7H,3,8-14H2,1-2H3,(H2,21,28)/p+1