(6E)-2-(1-adamantyl)-5-azanylidene-6-[(3-nitrophenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: (6E)-2-(1-adamantyl)-5-azanylidene-6-[(3-nitrophenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6E)-2-(1-adamantyl)-5-imino-6-[(3-nitrophenyl)methylene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6E)-2-(1-adamantyl)-5-imino-6-[(3-nitrophenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6E)-2-(1-adamantyl)-5-imino-6-[(3-nitrophenyl)methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6E)-2-(1-adamantyl)-5-imino-6-(3-nitrobenzylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN5C(=N)C(=CC6=CC(=CC=C6)[N+](=O)[O-])C(=O)N=C5S4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN5C(=N)/C(=C\C6=CC(=CC=C6)[N+](=O)[O-])/C(=O)N=C5S4

InChI

InChI=1S/C22H21N5O3S/c23-18-17(8-12-2-1-3-16(7-12)27(29)30)19(28)24-21-26(18)25-20(31-21)22-9-13-4-14(10-22)6-15(5-13)11-22/h1-3,7-8,13-15,23H,4-6,9-11H2/b17-8+,23-18?