2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoranyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoranyl-4-methyl-phenyl)ethanamide Openeye Name: 2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-methyl-phenyl)acetamide CAS Name: 2-[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-N-(2-fluoro-4-methylphenyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluoro-4-methylphenyl)acetamide Traditional Name: 2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]-N-(2-fluoro-4-methyl-phenyl)acetamide Formula: C18H22FN5O2S MolecularWeight: 391.462983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCOCC4)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCOCC4)F

InChI

InChI=1S/C18H22FN5O2S/c1-12-2-5-15(14(19)10-12)20-16(25)11-27-18-22-21-17(24(18)13-3-4-13)23-6-8-26-9-7-23/h2,5,10,13H,3-4,6-9,11H2,1H3,(H,20,25)