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

Systemtic Name: ethyl 1-[3-(2-hydroxyphenyl)phenyl]-6-(phenylmethyl)-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-benzyl-1-[3-(2-hydroxyphenyl)phenyl]-7-isopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-[3-(2-hydroxyphenyl)phenyl]-6-(phenylmethyl)-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-1-[3-(2-hydroxyphenyl)phenyl]-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-benzyl-1-[3-(2-hydroxyphenyl)phenyl]-7-isopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C38H35N3O5S MolecularWeight: 645.7666

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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)CC5=CC=CC=C5)CN6C=NC=N6

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)CC5=CC=CC=C5)CN6C=NC=N6

InChI

InChI=1S/C38H35N3O5S/c1-4-46-38(43)37-31(22-41-24-39-23-40-41)20-29-19-30(17-26-11-6-5-7-12-26)35(47(44,45)25(2)3)21-33(29)36(37)28-14-10-13-27(18-28)32-15-8-9-16-34(32)42/h5-16,18-21,23-25,42H,4,17,22H2,1-3H3