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

Systemtic Name: N-(4-morpholin-4-ylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(4-morpholinophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[4-(4-morpholinyl)phenyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(4-morpholinophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)SC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)SC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O2S/c1-15(29-21-23-19(24-25-21)16-5-3-2-4-6-16)20(27)22-17-7-9-18(10-8-17)26-11-13-28-14-12-26/h2-10,15H,11-14H2,1H3,(H,22,27)(H,23,24,25)