ethyl 7-fluoranyl-6-(2-hydroxyphenyl)-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 7-fluoranyl-6-(2-hydroxyphenyl)-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-fluoro-6-(2-hydroxyphenyl)-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-fluoro-6-(2-hydroxyphenyl)-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-fluoro-6-(2-hydroxyphenyl)-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-fluoro-6-(2-hydroxyphenyl)-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C34H26FN3O6S MolecularWeight: 623.650143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2C=C1CN3C=NC=N3)C4=CC=CC=C4O)F)C5=CC(=CC=C5)S(=O)(=O)OC6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2C=C1CN3C=NC=N3)C4=CC=CC=C4O)F)C5=CC(=CC=C5)S(=O)(=O)OC6=CC=CC=C6

InChI

InChI=1S/C34H26FN3O6S/c1-2-43-34(40)33-24(19-38-21-36-20-37-38)15-23-17-29(27-13-6-7-14-31(27)39)30(35)18-28(23)32(33)22-9-8-12-26(16-22)45(41,42)44-25-10-4-3-5-11-25/h3-18,20-21,39H,2,19H2,1H3