3-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-pyridin-2-olate

Systemtic Name: 3-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-pyridin-2-olate Openeye Name: 3-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-pyridin-2-olate CAS Name: 3-[[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-5-nitro-2-pyridinolate IUPAC Name: 3-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitropyridin-2-olate Traditional Name: 3-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-5-nitro-pyridin-2-olate Formula: C18H18N5O4S- MolecularWeight: 400.43162

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)NC(=O)C5=CC(=CN=C5[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)NC(=O)C5=CC(=CN=C5[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O4S/c24-14-13(4-12(8-19-14)23(26)27)15(25)20-17-22-21-16(28-17)18-5-9-1-10(6-18)3-11(2-9)7-18/h4,8-11H,1-3,5-7H2,(H,19,24)(H,20,22,25)/p-1