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

Systemtic Name: ethyl 7-(2-hydroxyphenyl)-6-methoxy-1-(3-methylsulfanylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-(2-hydroxyphenyl)-6-methoxy-1-(3-methylsulfanylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-(2-hydroxyphenyl)-6-methoxy-1-[3-(methylthio)phenyl]-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(2-hydroxyphenyl)-6-methoxy-1-(3-methylsulfanylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-(2-hydroxyphenyl)-6-methoxy-1-[3-(methylthio)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C30H27N3O4S MolecularWeight: 525.61808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H27N3O4S/c1-4-37-30(35)29-21(16-33-18-31-17-32-33)12-20-14-27(36-2)25(23-10-5-6-11-26(23)34)15-24(20)28(29)19-8-7-9-22(13-19)38-3/h5-15,17-18,34H,4,16H2,1-3H3