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

Systemtic Name: ethyl 7-ethoxy-6-methylsulfanyl-1-(3-methylsulfanylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-ethoxy-6-methylsulfanyl-1-(3-methylsulfanylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-ethoxy-6-(methylthio)-1-[3-(methylthio)phenyl]-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-ethoxy-6-methylsulfanyl-1-(3-methylsulfanylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-ethoxy-6-(methylthio)-1-[3-(methylthio)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3S2/c1-5-31-22-13-21-18(12-23(22)34-4)10-19(14-29-16-27-15-28-29)25(26(30)32-6-2)24(21)17-8-7-9-20(11-17)33-3/h7-13,15-16H,5-6,14H2,1-4H3