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

Systemtic Name: ethyl 1-[3-(2-hydroxyphenyl)phenyl]-6-oxidanyl-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-hydroxy-1-[3-(2-hydroxyphenyl)phenyl]-7-isopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 6-hydroxy-1-[3-(2-hydroxyphenyl)phenyl]-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-hydroxy-1-[3-(2-hydroxyphenyl)phenyl]-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-hydroxy-1-[3-(2-hydroxyphenyl)phenyl]-7-isopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C31H29N3O6S MolecularWeight: 571.64346

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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)S(=O)(=O)C(C)C)O)CN5C=NC=N5

Isomeric SMILES

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

InChI

InChI=1S/C31H29N3O6S/c1-4-40-31(37)30-23(16-34-18-32-17-33-34)13-22-14-27(36)28(41(38,39)19(2)3)15-25(22)29(30)21-9-7-8-20(12-21)24-10-5-6-11-26(24)35/h5-15,17-19,35-36H,4,16H2,1-3H3