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

Systemtic Name: ethyl 1-(3-bromophenyl)-6-(2-hydroxyphenyl)-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-bromophenyl)-6-(2-hydroxyphenyl)-7-isopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-bromophenyl)-6-(2-hydroxyphenyl)-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromophenyl)-6-(2-hydroxyphenyl)-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-bromophenyl)-6-(2-hydroxyphenyl)-7-isopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C31H28BrN3O5S MolecularWeight: 634.54012

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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)S(=O)(=O)C(C)C)C5=CC(=CC=C5)Br

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2C=C1CN3C=NC=N3)C4=CC=CC=C4O)S(=O)(=O)C(C)C)C5=CC(=CC=C5)Br

InChI

InChI=1S/C31H28BrN3O5S/c1-4-40-31(37)30-22(16-35-18-33-17-34-35)12-21-14-26(24-10-5-6-11-27(24)36)28(41(38,39)19(2)3)15-25(21)29(30)20-8-7-9-23(32)13-20/h5-15,17-19,36H,4,16H2,1-3H3