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

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-yl-propyl)ethanamide Openeye Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-2-morpholino-propyl)acetamide CAS Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-[2-methyl-2-(4-morpholinyl)propyl]acetamide IUPAC Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide Traditional Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-2-morpholino-propyl)acetamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3CC3)N4CCOCC4

Isomeric SMILES

CC(C)(CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3CC3)N4CCOCC4

InChI

InChI=1S/C21H29N5O2S/c1-21(2,25-10-12-28-13-11-25)15-22-18(27)14-29-20-24-23-19(16-8-9-16)26(20)17-6-4-3-5-7-17/h3-7,16H,8-15H2,1-2H3,(H,22,27)