2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide

Systemtic Name: 2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide Openeye Name: N,N-diisopropyl-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: 2-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N,N-di(propan-2-yl)propanamide IUPAC Name: 2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-di(propan-2-yl)propanamide Traditional Name: N,N-diisopropyl-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C21H31N5O2S/c1-15(2)25(16(3)4)19(27)17(5)29-21-23-22-20(24-11-13-28-14-12-24)26(21)18-9-7-6-8-10-18/h6-10,15-17H,11-14H2,1-5H3