ethyl 7-iodanyl-6-methoxy-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 7-iodanyl-6-methoxy-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-iodo-1-(3-isopropylsulfonylphenyl)-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-iodo-6-methoxy-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-iodo-6-methoxy-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-iodo-1-(3-isopropylsulfonylphenyl)-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C26H26IN3O5S MolecularWeight: 619.47121

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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)C(C)C)I)OC)CN4C=NC=N4

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)S(=O)(=O)C(C)C)I)OC)CN4C=NC=N4

InChI

InChI=1S/C26H26IN3O5S/c1-5-35-26(31)25-19(13-30-15-28-14-29-30)9-18-11-23(34-4)22(27)12-21(18)24(25)17-7-6-8-20(10-17)36(32,33)16(2)3/h6-12,14-16H,5,13H2,1-4H3