2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: 2-[(4-isobutyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-N-(4-isopropylphenyl)acetamide CAS Name: 2-[[4-(2-methylpropyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-[[4-(2-methylpropyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-[(4-isobutyl-5-morpholino-1,2,4-triazol-3-yl)thio]-N-p-cumenyl-acetamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(C)C)N3CCOCC3

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(C)C)N3CCOCC3

InChI

InChI=1S/C21H31N5O2S/c1-15(2)13-26-20(25-9-11-28-12-10-25)23-24-21(26)29-14-19(27)22-18-7-5-17(6-8-18)16(3)4/h5-8,15-16H,9-14H2,1-4H3,(H,22,27)