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

Systemtic Name: ethyl 1-(3-iodanylphenyl)-6-methoxy-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-iodophenyl)-7-isopropylsulfonyl-6-methoxy-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-iodophenyl)-6-methoxy-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-iodophenyl)-6-methoxy-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-iodophenyl)-7-isopropylsulfonyl-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)I)S(=O)(=O)C(C)C)OC)CN4C=NC=N4

Isomeric SMILES

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

InChI

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