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

Systemtic Name: 3-[1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[1-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-ethyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-ethyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-1-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C20H31N6O2S+ MolecularWeight: 419.56414

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3OCC)CCC(=O)N

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=CC=C3OCC)CCC(=O)N

InChI

InChI=1S/C20H30N6O2S/c1-3-25-19(10-9-18(21)27)22-26(20(25)29)15-23-11-13-24(14-12-23)16-7-5-6-8-17(16)28-4-2/h5-8H,3-4,9-15H2,1-2H3,(H2,21,27)/p+1