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

Systemtic Name: ethyl 7-(2-hydroxyphenyl)-1-(3-iodanylphenyl)-6-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-(2-hydroxyphenyl)-1-(3-iodophenyl)-6-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-(2-hydroxyphenyl)-1-(3-iodophenyl)-6-(methylthio)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-(2-hydroxyphenyl)-1-(3-iodophenyl)-6-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-(2-hydroxyphenyl)-1-(3-iodophenyl)-6-(methylthio)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C29H24IN3O3S MolecularWeight: 621.48863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24IN3O3S/c1-3-36-29(35)28-20(15-33-17-31-16-32-33)11-19-13-26(37-2)24(22-9-4-5-10-25(22)34)14-23(19)27(28)18-7-6-8-21(30)12-18/h4-14,16-17,34H,3,15H2,1-2H3