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

Systemtic Name: 4-tert-butyl-N-[3-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[5-(4-morpholinyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxopropyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[(5-morpholino-4-phenyl-1,2,4-triazol-3-yl)thio]propanoyl]benzamide Formula: C26H31N5O3S MolecularWeight: 493.62104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CCSC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C26H31N5O3S/c1-26(2,3)20-11-9-19(10-12-20)23(33)27-22(32)13-18-35-25-29-28-24(30-14-16-34-17-15-30)31(25)21-7-5-4-6-8-21/h4-12H,13-18H2,1-3H3,(H,27,32,33)