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

Systemtic Name: ethyl 6-(2-hydroxyphenyl)-7-methylsulfanyl-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-(2-hydroxyphenyl)-1-(3-isopropylsulfonylphenyl)-7-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 6-(2-hydroxyphenyl)-7-(methylthio)-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-hydroxyphenyl)-7-methylsulfanyl-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-(2-hydroxyphenyl)-1-(3-isopropylsulfonylphenyl)-7-(methylthio)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C32H31N3O5S2 MolecularWeight: 601.73564

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

Isomeric SMILES

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

InChI

InChI=1S/C32H31N3O5S2/c1-5-40-32(37)31-23(17-35-19-33-18-34-35)13-22-15-27(25-11-6-7-12-28(25)36)29(41-4)16-26(22)30(31)21-9-8-10-24(14-21)42(38,39)20(2)3/h6-16,18-20,36H,5,17H2,1-4H3