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

Systemtic Name: ethyl 1-[3-(2-hydroxyphenyl)phenyl]-7-methylsulfanyl-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-benzyl-1-[3-(2-hydroxyphenyl)phenyl]-7-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-[3-(2-hydroxyphenyl)phenyl]-7-(methylthio)-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-1-[3-(2-hydroxyphenyl)phenyl]-7-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-benzyl-1-[3-(2-hydroxyphenyl)phenyl]-7-(methylthio)-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(C=C2C=C(C(=CC2=C1C3=CC=CC(=C3)C4=CC=CC=C4O)SC)CC5=CC=CC=C5)CN6C=NC=N6

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC=CC(=C3)C4=CC=CC=C4O)SC)CC5=CC=CC=C5)CN6C=NC=N6

InChI

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