2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(5-chloranyl-3-nitro-6-oxidanylidene-1-propyl-pyridazin-4-yl)ethanenitrile

Systemtic Name: 2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(5-chloranyl-3-nitro-6-oxidanylidene-1-propyl-pyridazin-4-yl)ethanenitrile Openeye Name: 2-[4-(1-adamantyl)thiazol-2-yl]-2-(5-chloro-3-nitro-6-oxo-1-propyl-pyridazin-4-yl)acetonitrile CAS Name: 2-[4-(1-adamantyl)-2-thiazolyl]-2-(5-chloro-3-nitro-6-oxo-1-propyl-4-pyridazinyl)acetonitrile IUPAC Name: 2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(5-chloro-3-nitro-6-oxo-1-propylpyridazin-4-yl)acetonitrile Traditional Name: 2-[4-(1-adamantyl)thiazol-2-yl]-2-(5-chloro-6-keto-3-nitro-1-propyl-pyridazin-4-yl)acetonitrile Formula: C22H24ClN5O3S MolecularWeight: 473.97566

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=C(C(=N1)[N+](=O)[O-])C(C#N)C2=NC(=CS2)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CCCN1C(=O)C(=C(C(=N1)[N+](=O)[O-])C(C#N)C2=NC(=CS2)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C22H24ClN5O3S/c1-2-3-27-21(29)18(23)17(19(26-27)28(30)31)15(10-24)20-25-16(11-32-20)22-7-12-4-13(8-22)6-14(5-12)9-22/h11-15H,2-9H2,1H3