N-butan-2-yl-2-[4-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-butan-2-yl-2-[4-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-sec-butyl-2-[4-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]acetamide CAS Name: N-butan-2-yl-2-[4-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-butan-2-yl-2-[4-[(3-sulfanylidene-5-thiophen-2-yl-1H-1,2,4-triazol-2-yl)methyl]piperazin-1-yl]acetamide Traditional Name: N-sec-butyl-2-[4-[[5-(2-thienyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazino]acetamide Formula: C17H26N6OS2 MolecularWeight: 394.55794

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CN1CCN(CC1)CN2C(=S)N=C(N2)C3=CC=CS3

Isomeric SMILES

CCC(C)NC(=O)CN1CCN(CC1)CN2C(=S)N=C(N2)C3=CC=CS3

InChI

InChI=1S/C17H26N6OS2/c1-3-13(2)18-15(24)11-21-6-8-22(9-7-21)12-23-17(25)19-16(20-23)14-5-4-10-26-14/h4-5,10,13H,3,6-9,11-12H2,1-2H3,(H,18,24)(H,19,20,25)