ethyl 2-[4-methyl-5-sulfanylidene-1-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-methyl-5-sulfanylidene-1-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-methyl-1-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]-5-thioxo-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-methyl-1-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-methyl-5-sulfanylidene-1-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[4-methyl-1-[[4-(2-thenoyl)piperazin-1-ium-1-yl]methyl]-5-thioxo-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C17H24N5O3S2+ MolecularWeight: 410.53416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=S)N1C)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)CC1=NN(C(=S)N1C)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C17H23N5O3S2/c1-3-25-15(23)11-14-18-22(17(26)19(14)2)12-20-6-8-21(9-7-20)16(24)13-5-4-10-27-13/h4-5,10H,3,6-9,11-12H2,1-2H3/p+1