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

Systemtic Name: ethyl 1-(3-bromophenyl)-6-fluoranyl-7-iodanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-bromophenyl)-6-fluoro-7-iodo-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-bromophenyl)-6-fluoro-7-iodo-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromophenyl)-6-fluoro-7-iodo-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-bromophenyl)-6-fluoro-7-iodo-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C22H16BrFIN3O2 MolecularWeight: 580.188213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrFIN3O2/c1-2-30-22(29)21-15(10-28-12-26-11-27-28)6-14-8-18(24)19(25)9-17(14)20(21)13-4-3-5-16(23)7-13/h3-9,11-12H,2,10H2,1H3