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

Systemtic Name: N-tert-butyl-2-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-ethyl-amino]ethanamide Openeye Name: N-tert-butyl-2-[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-ethyl-amino]acetamide CAS Name: N-tert-butyl-2-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-ethylamino]acetamide IUPAC Name: N-tert-butyl-2-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-ethylamino]acetamide Traditional Name: N-tert-butyl-2-[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-ethyl-amino]acetamide Formula: C18H27N5OS2 MolecularWeight: 393.56988

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC(C)(C)C)CN1C(=S)N(C(=N1)C2=CC=CS2)C3CC3

Isomeric SMILES

CCN(CC(=O)NC(C)(C)C)CN1C(=S)N(C(=N1)C2=CC=CS2)C3CC3

InChI

InChI=1S/C18H27N5OS2/c1-5-21(11-15(24)19-18(2,3)4)12-22-17(25)23(13-8-9-13)16(20-22)14-7-6-10-26-14/h6-7,10,13H,5,8-9,11-12H2,1-4H3,(H,19,24)