1-[3-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-5-fluoranyl-2-oxidanyl-phenyl]ethanone

Systemtic Name: 1-[3-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-5-fluoranyl-2-oxidanyl-phenyl]ethanone Openeye Name: 1-[3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-5-fluoro-2-hydroxy-phenyl]ethanone CAS Name: 1-[3-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-5-fluoro-2-hydroxyphenyl]ethanone IUPAC Name: 1-[3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-5-fluoro-2-hydroxyphenyl]ethanone Traditional Name: 1-[3-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]-5-fluoro-2-hydroxy-phenyl]ethanone Formula: C13H13FN4O2S MolecularWeight: 308.331323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC(=C1O)CSC2=NN=NN2C3CC3)F

Isomeric SMILES

CC(=O)C1=CC(=CC(=C1O)CSC2=NN=NN2C3CC3)F

InChI

InChI=1S/C13H13FN4O2S/c1-7(19)11-5-9(14)4-8(12(11)20)6-21-13-15-16-17-18(13)10-2-3-10/h4-5,10,20H,2-3,6H2,1H3