N-cyclooctyl-2-[[5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-cyclooctyl-2-[[5-morpholin-4-yl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-N-cyclooctyl-acetamide CAS Name: N-cyclooctyl-2-[[5-(4-morpholinyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclooctylacetamide Traditional Name: 2-[(4-benzyl-5-morpholino-1,2,4-triazol-3-yl)thio]-N-cyclooctyl-acetamide Formula: C23H33N5O2S MolecularWeight: 443.60542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C23H33N5O2S/c29-21(24-20-11-7-2-1-3-8-12-20)18-31-23-26-25-22(27-13-15-30-16-14-27)28(23)17-19-9-5-4-6-10-19/h4-6,9-10,20H,1-3,7-8,11-18H2,(H,24,29)