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

Systemtic Name: ethyl 7-fluoranyl-6-(2-hydroxyphenyl)-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-fluoro-6-(2-hydroxyphenyl)-1-(3-isopropylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-fluoro-6-(2-hydroxyphenyl)-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-fluoro-6-(2-hydroxyphenyl)-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-fluoro-6-(2-hydroxyphenyl)-1-(3-isopropylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C31H28FN3O5S MolecularWeight: 573.634523

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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)C(C)C

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)C(C)C

InChI

InChI=1S/C31H28FN3O5S/c1-4-40-31(37)30-22(16-35-18-33-17-34-35)12-21-14-26(24-10-5-6-11-28(24)36)27(32)15-25(21)29(30)20-8-7-9-23(13-20)41(38,39)19(2)3/h5-15,17-19,36H,4,16H2,1-3H3