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

Systemtic Name: ethyl 1-(3-chlorophenyl)-7-ethoxy-6-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-chlorophenyl)-7-ethoxy-6-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-(3-chlorophenyl)-7-ethoxy-6-(methylthio)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-chlorophenyl)-7-ethoxy-6-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-chlorophenyl)-7-ethoxy-6-(methylthio)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C25H24ClN3O3S MolecularWeight: 481.99436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C(C=C2C=C1SC)CN3C=NC=N3)C(=O)OCC)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC1=CC2=C(C(=C(C=C2C=C1SC)CN3C=NC=N3)C(=O)OCC)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H24ClN3O3S/c1-4-31-21-12-20-17(11-22(21)33-3)9-18(13-29-15-27-14-28-29)24(25(30)32-5-2)23(20)16-7-6-8-19(26)10-16/h6-12,14-15H,4-5,13H2,1-3H3