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

Systemtic Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-tert-butylisoxazol-5-yl)-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-tert-butyl-5-isoxazolyl)-2-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-tert-butylisoxazol-5-yl)-2-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H26N6O3S MolecularWeight: 442.53454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C21H26N6O3S/c1-21(2,3)16-13-18(30-25-16)22-17(28)14-31-20-24-23-19(26-9-11-29-12-10-26)27(20)15-7-5-4-6-8-15/h4-8,13H,9-12,14H2,1-3H3,(H,22,28)