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

Systemtic Name: N-tert-butyl-2-[(4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-ethyl-amino]ethanamide Openeye Name: N-tert-butyl-2-[[4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-ethyl-amino]acetamide CAS Name: N-tert-butyl-2-[[4-cyclopropyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-ethylamino]acetamide IUPAC Name: N-tert-butyl-2-[(4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-ethylamino]acetamide Traditional Name: N-tert-butyl-2-[[4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-ethyl-amino]acetamide Formula: C19H28N6OS MolecularWeight: 388.53022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N6OS/c1-5-23(12-16(26)21-19(2,3)4)13-24-18(27)25(15-8-9-15)17(22-24)14-7-6-10-20-11-14/h6-7,10-11,15H,5,8-9,12-13H2,1-4H3,(H,21,26)