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

Systemtic Name: N-tert-butyl-2-[4-[[4-ethyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]ethanamide Openeye Name: 2-[4-[(3-benzyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[4-[[4-ethyl-3-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]acetamide IUPAC Name: 2-[4-[(3-benzyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-[(3-benzyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]-N-tert-butyl-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)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCN(CC2)CC(=O)NC(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H34N6OS/c1-5-27-19(15-18-9-7-6-8-10-18)24-28(21(27)30)17-26-13-11-25(12-14-26)16-20(29)23-22(2,3)4/h6-10H,5,11-17H2,1-4H3,(H,23,29)