ethyl 6,7-bis(2-hydroxyphenyl)-1-[3-(phenylsulfonyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 6,7-bis(2-hydroxyphenyl)-1-[3-(phenylsulfonyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-[3-(benzenesulfonyl)phenyl]-6,7-bis(2-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-[3-(benzenesulfonyl)phenyl]-6,7-bis(2-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(benzenesulfonyl)phenyl]-6,7-bis(2-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-besylphenyl)-6,7-bis(2-hydroxyphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C40H31N3O6S MolecularWeight: 681.75564

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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)C5=CC=CC=C5O)C6=CC(=CC=C6)S(=O)(=O)C7=CC=CC=C7

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2C=C1CN3C=NC=N3)C4=CC=CC=C4O)C5=CC=CC=C5O)C6=CC(=CC=C6)S(=O)(=O)C7=CC=CC=C7

InChI

InChI=1S/C40H31N3O6S/c1-2-49-40(46)39-28(23-43-25-41-24-42-43)19-27-21-34(31-15-6-8-17-36(31)44)35(32-16-7-9-18-37(32)45)22-33(27)38(39)26-11-10-14-30(20-26)50(47,48)29-12-4-3-5-13-29/h3-22,24-25,44-45H,2,23H2,1H3