N-(4-morpholin-4-ylphenyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(4-morpholin-4-ylphenyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-morpholinophenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[4-(4-morpholinyl)phenyl]-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-morpholinophenyl)propionamide Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)SC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)SC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O3S/c1-17(21(29)24-19-7-9-20(10-8-19)27-13-15-31-16-14-27)32-23-26-25-22(30)28(23)12-11-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3,(H,24,29)(H,25,30)