N-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: N-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide Openeye Name: N-isobutyl-N-[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide CAS Name: N-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1-adamantanecarboxamide IUPAC Name: N-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide Traditional Name: N-isobutyl-N-[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1=NN=C(S1)C2=CC=NC=C2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)CN(C1=NN=C(S1)C2=CC=NC=C2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N4OS/c1-14(2)13-26(21-25-24-19(28-21)18-3-5-23-6-4-18)20(27)22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,14-17H,7-13H2,1-2H3