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

Systemtic Name: ethyl 7-ethoxy-1-(3-methylsulfanylphenyl)-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-benzyl-7-ethoxy-1-(3-methylsulfanylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-ethoxy-1-[3-(methylthio)phenyl]-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-7-ethoxy-1-(3-methylsulfanylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-benzyl-7-ethoxy-1-[3-(methylthio)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C32H31N3O3S MolecularWeight: 537.67184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C(C=C2C=C1CC3=CC=CC=C3)CN4C=NC=N4)C(=O)OCC)C5=CC(=CC=C5)SC

Isomeric SMILES

CCOC1=CC2=C(C(=C(C=C2C=C1CC3=CC=CC=C3)CN4C=NC=N4)C(=O)OCC)C5=CC(=CC=C5)SC

InChI

InChI=1S/C32H31N3O3S/c1-4-37-29-18-28-24(15-25(29)14-22-10-7-6-8-11-22)16-26(19-35-21-33-20-34-35)31(32(36)38-5-2)30(28)23-12-9-13-27(17-23)39-3/h6-13,15-18,20-21H,4-5,14,19H2,1-3H3