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

Systemtic Name: ethyl 7-ethoxy-6-(phenylmethyl)-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-benzyl-7-ethoxy-1-(3-isopropylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-ethoxy-6-(phenylmethyl)-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-7-ethoxy-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-benzyl-7-ethoxy-1-(3-isopropylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C34H35N3O5S MolecularWeight: 597.7238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C(C=C2C=C1CC3=CC=CC=C3)CN4C=NC=N4)C(=O)OCC)C5=CC(=CC=C5)S(=O)(=O)C(C)C

Isomeric SMILES

CCOC1=CC2=C(C(=C(C=C2C=C1CC3=CC=CC=C3)CN4C=NC=N4)C(=O)OCC)C5=CC(=CC=C5)S(=O)(=O)C(C)C

InChI

InChI=1S/C34H35N3O5S/c1-5-41-31-19-30-26(16-27(31)15-24-11-8-7-9-12-24)17-28(20-37-22-35-21-36-37)33(34(38)42-6-2)32(30)25-13-10-14-29(18-25)43(39,40)23(3)4/h7-14,16-19,21-23H,5-6,15,20H2,1-4H3