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

Systemtic Name: ethyl 7-methoxy-6-methylsulfanyl-1-(3-methylsulfanylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-methoxy-6-methylsulfanyl-1-(3-methylsulfanylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-methoxy-6-(methylthio)-1-[3-(methylthio)phenyl]-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-methoxy-6-methylsulfanyl-1-(3-methylsulfanylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-methoxy-6-(methylthio)-1-[3-(methylthio)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C25H25N3O3S2 MolecularWeight: 479.6143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3S2/c1-5-31-25(29)24-18(13-28-15-26-14-27-28)9-17-11-22(33-4)21(30-2)12-20(17)23(24)16-7-6-8-19(10-16)32-3/h6-12,14-15H,5,13H2,1-4H3