2-(benzotriazol-1-yl)-N-[(2R)-3-methyl-1-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)butan-2-yl]ethanamide

Systemtic Name: 2-(benzotriazol-1-yl)-N-[(2R)-3-methyl-1-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)butan-2-yl]ethanamide Openeye Name: 2-(benzotriazol-1-yl)-N-[(1R)-2-methyl-1-[[6-oxo-3-(2-thienyl)pyridazin-1-yl]methyl]propyl]acetamide CAS Name: 2-(1-benzotriazolyl)-N-[(2R)-3-methyl-1-(6-oxo-3-thiophen-2-yl-1-pyridazinyl)butan-2-yl]acetamide IUPAC Name: 2-(benzotriazol-1-yl)-N-[(2R)-3-methyl-1-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butan-2-yl]acetamide Traditional Name: 2-(benzotriazol-1-yl)-N-[(1R)-1-[[6-keto-3-(2-thienyl)pyridazin-1-yl]methyl]-2-methyl-propyl]acetamide Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN1C(=O)C=CC(=N1)C2=CC=CS2)NC(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C)[C@H](CN1C(=O)C=CC(=N1)C2=CC=CS2)NC(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H22N6O2S/c1-14(2)17(12-27-21(29)10-9-16(24-27)19-8-5-11-30-19)22-20(28)13-26-18-7-4-3-6-15(18)23-25-26/h3-11,14,17H,12-13H2,1-2H3,(H,22,28)/t17-/m0/s1