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

Systemtic Name: ethyl 7-ethoxy-6-methoxy-1-(3-methylsulfanylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-ethoxy-6-methoxy-1-(3-methylsulfanylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-ethoxy-6-methoxy-1-[3-(methylthio)phenyl]-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-ethoxy-6-methoxy-1-(3-methylsulfanylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-ethoxy-6-methoxy-1-[3-(methylthio)phenyl]-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=CC2=C(C(=C(C=C2C=C1OC)CN3C=NC=N3)C(=O)OCC)C4=CC(=CC=C4)SC

Isomeric SMILES

CCOC1=CC2=C(C(=C(C=C2C=C1OC)CN3C=NC=N3)C(=O)OCC)C4=CC(=CC=C4)SC

InChI

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