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

Systemtic Name: ethyl 6-fluoranyl-1-(3-iodanylphenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-fluoro-1-(3-iodophenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 6-fluoro-1-(3-iodophenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-fluoro-1-(3-iodophenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-fluoro-1-(3-iodophenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C28H21FIN3O5S MolecularWeight: 657.451313

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)I)S(=O)(=O)OC4=CC=CC=C4)F)CN5C=NC=N5

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)I)S(=O)(=O)OC4=CC=CC=C4)F)CN5C=NC=N5

InChI

InChI=1S/C28H21FIN3O5S/c1-2-37-28(34)27-20(15-33-17-31-16-32-33)11-19-13-24(29)25(39(35,36)38-22-9-4-3-5-10-22)14-23(19)26(27)18-7-6-8-21(30)12-18/h3-14,16-17H,2,15H2,1H3