ethyl 1-(3-ethoxyphenyl)-7-methoxy-6-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 1-(3-ethoxyphenyl)-7-methoxy-6-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-ethoxyphenyl)-7-methoxy-6-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-ethoxyphenyl)-7-methoxy-6-(methylthio)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-ethoxyphenyl)-7-methoxy-6-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-methoxy-6-(methylthio)-1-m-phenetyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=C3C=C(C(=CC3=CC(=C2C(=O)OCC)CN4C=NC=N4)SC)OC

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=C3C=C(C(=CC3=CC(=C2C(=O)OCC)CN4C=NC=N4)SC)OC

InChI

InChI=1S/C26H27N3O4S/c1-5-32-20-9-7-8-17(11-20)24-21-13-22(31-3)23(34-4)12-18(21)10-19(14-29-16-27-15-28-29)25(24)26(30)33-6-2/h7-13,15-16H,5-6,14H2,1-4H3