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

Systemtic Name: ethyl 6-(2-hydroxyphenyl)-1-(3-methylsulfanylphenyl)-7-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-benzyl-6-(2-hydroxyphenyl)-1-(3-methylsulfanylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 6-(2-hydroxyphenyl)-1-[3-(methylthio)phenyl]-7-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-benzyl-6-(2-hydroxyphenyl)-1-(3-methylsulfanylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-benzyl-6-(2-hydroxyphenyl)-1-[3-(methylthio)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C36H31N3O3S MolecularWeight: 585.71464

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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)CC5=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)CC5=CC=CC=C5)C6=CC(=CC=C6)SC

InChI

InChI=1S/C36H31N3O3S/c1-3-42-36(41)35-28(21-39-23-37-22-38-39)17-27-19-31(30-14-7-8-15-33(30)40)26(16-24-10-5-4-6-11-24)20-32(27)34(35)25-12-9-13-29(18-25)43-2/h4-15,17-20,22-23,40H,3,16,21H2,1-2H3