2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1-phenyl-butyl)ethanamide

Systemtic Name: 2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1-phenyl-butyl)ethanamide Openeye Name: 2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1-phenyl-butyl)acetamide CAS Name: 2-[[4-ethyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-N-(3-methyl-1-phenylbutyl)acetamide IUPAC Name: 2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1-phenylbutyl)acetamide Traditional Name: 2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)thio]-N-(3-methyl-1-phenyl-butyl)acetamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC(CC(C)C)C2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC(CC(C)C)C2=CC=CC=C2)N3CCOCC3

InChI

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