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

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1-(2-methoxyethyl)-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-1-(2-methoxyethyl)-6-oxo-pyridazine-3-carboxamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-1-(2-methoxyethyl)-6-oxo-3-pyridazinecarboxamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-6-keto-1-(2-methoxyethyl)pyridazine-3-carboxamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C=CC(=N1)C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COCCN1C(=O)C=CC(=N1)C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H26N4O3S/c1-28-5-4-25-18(26)3-2-16(24-25)19(27)23-20-22-17(12-29-20)21-9-13-6-14(10-21)8-15(7-13)11-21/h2-3,12-15H,4-11H2,1H3,(H,22,23,27)