N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-6-oxidanylidene-1-propyl-pyridazine-3-carboxamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-6-oxo-1-propyl-pyridazine-3-carboxamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-6-oxo-1-propyl-3-pyridazinecarboxamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-6-keto-1-propyl-pyridazine-3-carboxamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H26N4O2S/c1-2-5-25-18(26)4-3-16(24-25)19(27)23-20-22-17(12-28-20)21-9-13-6-14(10-21)8-15(7-13)11-21/h3-4,12-15H,2,5-11H2,1H3,(H,22,23,27)