3-(benzotriazol-1-yl)-N-[(2S)-1-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)butan-2-yl]propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C(=O)C=CC(=N1)C2=CC=CS2)NC(=O)CCN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC[C@@H](CN1C(=O)C=CC(=N1)C2=CC=CS2)NC(=O)CCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H22N6O2S/c1-2-15(14-27-21(29)10-9-17(24-27)19-8-5-13-30-19)22-20(28)11-12-26-18-7-4-3-6-16(18)23-25-26/h3-10,13,15H,2,11-12,14H2,1H3,(H,22,28)/t15-/m0/s1