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

Systemtic Name: N-tert-butyl-2-[[4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]ethanamide Openeye Name: N-tert-butyl-2-[[4-(2-methoxyethyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]acetamide CAS Name: N-tert-butyl-2-[[4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]acetamide IUPAC Name: N-tert-butyl-2-[[4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]acetamide Traditional Name: N-tert-butyl-2-[[4-(2-methoxyethyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]acetamide Formula: C18H28N6O2S MolecularWeight: 392.51892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N6O2S/c1-18(2,3)20-15(25)12-22(4)13-24-17(27)23(10-11-26-5)16(21-24)14-6-8-19-9-7-14/h6-9H,10-13H2,1-5H3,(H,20,25)