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

Systemtic Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3-fluoranyl-4-methoxy-phenyl)ethanone Openeye Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3-fluoro-4-methoxy-phenyl)ethanone CAS Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-(3-fluoro-4-methoxyphenyl)ethanone IUPAC Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3-fluoro-4-methoxyphenyl)ethanone Traditional Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-(3-fluoro-4-methoxy-phenyl)ethanone Formula: C14H14FN3O2S MolecularWeight: 307.343263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NNC(=N2)C3CC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NNC(=N2)C3CC3)F

InChI

InChI=1S/C14H14FN3O2S/c1-20-12-5-4-9(6-10(12)15)11(19)7-21-14-16-13(17-18-14)8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,16,17,18)