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

Systemtic Name: N-tert-butyl-2-[4-[[4-ethyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[[4-ethyl-3-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[4-ethyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[[4-ethyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[[4-ethyl-3-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]acetamide Formula: C22H34N6OS MolecularWeight: 430.60996

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCN(CC2)CC(=O)NC(C)(C)C)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCN(CC2)CC(=O)NC(C)(C)C)C3=CC=CC=C3C

InChI

InChI=1S/C22H34N6OS/c1-6-27-20(18-10-8-7-9-17(18)2)24-28(21(27)30)16-26-13-11-25(12-14-26)15-19(29)23-22(3,4)5/h7-10H,6,11-16H2,1-5H3,(H,23,29)