2-[4-ethyl-1-(4-fluorophenyl)sulfonyl-pyrrol-3-yl]-3-oxidanyl-3-(2H-1,2,3,4-tetrazol-5-yl)prop-1-en-1-one

Systemtic Name: 2-[4-ethyl-1-(4-fluorophenyl)sulfonyl-pyrrol-3-yl]-3-oxidanyl-3-(2H-1,2,3,4-tetrazol-5-yl)prop-1-en-1-one Openeye Name: 2-[4-ethyl-1-(4-fluorophenyl)sulfonyl-pyrrol-3-yl]-3-hydroxy-3-(2H-tetrazol-5-yl)prop-1-en-1-one CAS Name: 2-[4-ethyl-1-(4-fluorophenyl)sulfonyl-3-pyrrolyl]-3-hydroxy-3-(2H-tetrazol-5-yl)-1-propen-1-one IUPAC Name: 2-[4-ethyl-1-(4-fluorophenyl)sulfonylpyrrol-3-yl]-3-hydroxy-3-(2H-tetrazol-5-yl)prop-1-en-1-one Traditional Name: 2-[4-ethyl-1-(4-fluorophenyl)sulfonyl-pyrrol-3-yl]-3-hydroxy-3-(2H-tetrazol-5-yl)prop-1-en-1-one Formula: C16H14FN5O4S MolecularWeight: 391.376863

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(C=C1C(=C=O)C(C2=NNN=N2)O)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CN(C=C1C(=C=O)C(C2=NNN=N2)O)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H14FN5O4S/c1-2-10-7-22(27(25,26)12-5-3-11(17)4-6-12)8-13(10)14(9-23)15(24)16-18-20-21-19-16/h3-8,15,24H,2H2,1H3,(H,18,19,20,21)