5-(1-adamantyl)-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: 5-(1-adamantyl)-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylate Openeye Name: 5-(1-adamantyl)-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylate CAS Name: 5-(1-adamantyl)-3-(3-mercapto-1-oxopropyl)-2H-1,3,4-thiadiazole-2-carboxylate IUPAC Name: 5-(1-adamantyl)-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylate Traditional Name: 5-(1-adamantyl)-3-(3-mercaptopropanoyl)-2H-1,3,4-thiadiazole-2-carboxylate Formula: C16H21N2O3S2- MolecularWeight: 353.47954

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C(S4)C(=O)[O-])C(=O)CCS

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C(S4)C(=O)[O-])C(=O)CCS

InChI

InChI=1S/C16H22N2O3S2/c19-12(1-2-22)18-13(14(20)21)23-15(17-18)16-6-9-3-10(7-16)5-11(4-9)8-16/h9-11,13,22H,1-8H2,(H,20,21)/p-1