2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-fluoranyl-4-methoxy-phenyl)ethanone

Systemtic Name: 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-fluoranyl-4-methoxy-phenyl)ethanone Openeye Name: 2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-1-(3-fluoro-4-methoxy-phenyl)ethanone CAS Name: 2-[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-1-(3-fluoro-4-methoxyphenyl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-fluoro-4-methoxyphenyl)ethanone Traditional Name: 2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]-1-(3-fluoro-4-methoxy-phenyl)ethanone Formula: C18H21FN4O3S MolecularWeight: 392.447743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)N4CCOCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3CC3)N4CCOCC4)F

InChI

InChI=1S/C18H21FN4O3S/c1-25-16-5-2-12(10-14(16)19)15(24)11-27-18-21-20-17(23(18)13-3-4-13)22-6-8-26-9-7-22/h2,5,10,13H,3-4,6-9,11H2,1H3