ethyl 1-(3-bromophenyl)-6-oxidanyl-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 1-(3-bromophenyl)-6-oxidanyl-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-bromophenyl)-6-hydroxy-7-isopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-bromophenyl)-6-hydroxy-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromophenyl)-6-hydroxy-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-bromophenyl)-6-hydroxy-7-isopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C25H24BrN3O5S MolecularWeight: 558.44416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24BrN3O5S/c1-4-34-25(31)24-18(12-29-14-27-13-28-29)8-17-10-21(30)22(35(32,33)15(2)3)11-20(17)23(24)16-6-5-7-19(26)9-16/h5-11,13-15,30H,4,12H2,1-3H3