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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)N4CCOCC4

InChI

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