N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-4-keto-3H-phthalazine-1-carboxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=NNC(=O)C6=CC=CC=C65

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=NNC(=O)C6=CC=CC=C65

InChI

InChI=1S/C22H22N4O2S/c27-19-16-4-2-1-3-15(16)18(25-26-19)20(28)24-21-23-17(11-29-21)22-8-12-5-13(9-22)7-14(6-12)10-22/h1-4,11-14H,5-10H2,(H,26,27)(H,23,24,28)