ethyl 7-bromanyl-6-methoxy-1-[3-(phenylsulfonyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 7-bromanyl-6-methoxy-1-[3-(phenylsulfonyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-[3-(benzenesulfonyl)phenyl]-7-bromo-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-[3-(benzenesulfonyl)phenyl]-7-bromo-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(benzenesulfonyl)phenyl]-7-bromo-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-besylphenyl)-7-bromo-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C29H24BrN3O5S MolecularWeight: 606.48696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24BrN3O5S/c1-3-38-29(34)28-21(16-33-18-31-17-32-33)12-20-14-26(37-2)25(30)15-24(20)27(28)19-8-7-11-23(13-19)39(35,36)22-9-5-4-6-10-22/h4-15,17-18H,3,16H2,1-2H3