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

Systemtic Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide Openeye Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholinophenyl)propanamide CAS Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-[4-(4-morpholinyl)phenyl]propanamide IUPAC Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide Traditional Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-morpholinophenyl)propionamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCCC(=O)NC4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCCC(=O)NC4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C21H27N5O2S/c27-19(22-16-3-5-17(6-4-16)25-10-12-28-13-11-25)9-14-29-21-24-23-20(15-1-2-15)26(21)18-7-8-18/h3-6,15,18H,1-2,7-14H2,(H,22,27)