N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-ethoxy-benzamide

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-ethoxy-benzamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-ethoxy-benzamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-ethoxybenzamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-ethoxybenzamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-ethoxy-benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25N3O2S/c1-2-26-17-5-3-16(4-6-17)18(25)22-20-24-23-19(27-20)21-10-13-7-14(11-21)9-15(8-13)12-21/h3-6,13-15H,2,7-12H2,1H3,(H,22,24,25)