ethyl 6-(2-hydroxyphenyl)-1-(3-methylsulfanylphenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 6-(2-hydroxyphenyl)-1-(3-methylsulfanylphenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-(2-hydroxyphenyl)-1-(3-methylsulfanylphenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 6-(2-hydroxyphenyl)-1-[3-(methylthio)phenyl]-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-hydroxyphenyl)-1-(3-methylsulfanylphenyl)-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-(2-hydroxyphenyl)-1-[3-(methylthio)phenyl]-7-phenoxysulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C35H29N3O6S2 MolecularWeight: 651.75126

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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)OC5=CC=CC=C5)C6=CC(=CC=C6)SC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2C=C1CN3C=NC=N3)C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5)C6=CC(=CC=C6)SC

InChI

InChI=1S/C35H29N3O6S2/c1-3-43-35(40)34-25(20-38-22-36-21-37-38)16-24-18-30(28-14-7-8-15-31(28)39)32(46(41,42)44-26-11-5-4-6-12-26)19-29(24)33(34)23-10-9-13-27(17-23)45-2/h4-19,21-22,39H,3,20H2,1-2H3