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

Systemtic Name: ethyl 1-[3-(2-hydroxyphenyl)phenyl]-6-methylsulfanyl-7-oxidanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-hydroxy-1-[3-(2-hydroxyphenyl)phenyl]-6-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-hydroxy-1-[3-(2-hydroxyphenyl)phenyl]-6-(methylthio)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-hydroxy-1-[3-(2-hydroxyphenyl)phenyl]-6-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-hydroxy-1-[3-(2-hydroxyphenyl)phenyl]-6-(methylthio)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C29H25N3O4S MolecularWeight: 511.5915

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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)O)SC)CN5C=NC=N5

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC=CC(=C3)C4=CC=CC=C4O)O)SC)CN5C=NC=N5

InChI

InChI=1S/C29H25N3O4S/c1-3-36-29(35)28-21(15-32-17-30-16-31-32)12-20-13-26(37-2)25(34)14-23(20)27(28)19-8-6-7-18(11-19)22-9-4-5-10-24(22)33/h4-14,16-17,33-34H,3,15H2,1-2H3