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

Systemtic Name: ethyl 6-fluoranyl-7-iodanyl-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-fluoro-7-iodo-1-(3-isopropylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 6-fluoro-7-iodo-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-fluoro-7-iodo-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-fluoro-7-iodo-1-(3-isopropylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C25H23FIN3O4S MolecularWeight: 607.435693

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)S(=O)(=O)C(C)C)I)F)CN4C=NC=N4

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)S(=O)(=O)C(C)C)I)F)CN4C=NC=N4

InChI

InChI=1S/C25H23FIN3O4S/c1-4-34-25(31)24-18(12-30-14-28-13-29-30)8-17-10-21(26)22(27)11-20(17)23(24)16-6-5-7-19(9-16)35(32,33)15(2)3/h5-11,13-15H,4,12H2,1-3H3