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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3-fluoranyl-4-methoxy-phenyl)ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3-fluoro-4-methoxy-phenyl)ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(3-fluoro-4-methoxyphenyl)ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(3-fluoro-4-methoxyphenyl)ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-(3-fluoro-4-methoxy-phenyl)ethanone Formula: C11H11FN4O2S MolecularWeight: 282.294043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11FN4O2S/c1-18-9-3-2-6(4-7(9)12)8(17)5-19-11-14-10(13)15-16-11/h2-4H,5H2,1H3,(H3,13,14,15,16)