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

Systemtic Name: ethyl 7-ethoxy-1-[3-(2-hydroxyphenyl)phenyl]-6-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-ethoxy-1-[3-(2-hydroxyphenyl)phenyl]-6-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-ethoxy-1-[3-(2-hydroxyphenyl)phenyl]-6-(methylthio)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-ethoxy-1-[3-(2-hydroxyphenyl)phenyl]-6-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-ethoxy-1-[3-(2-hydroxyphenyl)phenyl]-6-(methylthio)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C31H29N3O4S MolecularWeight: 539.64466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C(C=C2C=C1SC)CN3C=NC=N3)C(=O)OCC)C4=CC=CC(=C4)C5=CC=CC=C5O

Isomeric SMILES

CCOC1=CC2=C(C(=C(C=C2C=C1SC)CN3C=NC=N3)C(=O)OCC)C4=CC=CC(=C4)C5=CC=CC=C5O

InChI

InChI=1S/C31H29N3O4S/c1-4-37-27-16-25-22(15-28(27)39-3)14-23(17-34-19-32-18-33-34)30(31(36)38-5-2)29(25)21-10-8-9-20(13-21)24-11-6-7-12-26(24)35/h6-16,18-19,35H,4-5,17H2,1-3H3