2-[4-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-[(5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-[(5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C21H33N6OS+ MolecularWeight: 417.59132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)CN3C(=S)N=C(N3)C(C)(C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)CN3C(=S)N=C(N3)C(C)(C)C

InChI

InChI=1S/C21H32N6OS/c1-5-16-8-6-7-9-17(16)22-18(28)14-25-10-12-26(13-11-25)15-27-20(29)23-19(24-27)21(2,3)4/h6-9H,5,10-15H2,1-4H3,(H,22,28)(H,23,24,29)/p+1