ethyl 7-ethoxy-6-methylsulfanyl-1-[3-(phenylmethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate

Systemtic Name: ethyl 7-ethoxy-6-methylsulfanyl-1-[3-(phenylmethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-(3-benzylphenyl)-7-ethoxy-6-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-ethoxy-6-(methylthio)-1-[3-(phenylmethyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-benzylphenyl)-7-ethoxy-6-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-benzylphenyl)-7-ethoxy-6-(methylthio)-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=C1SC)CN3C=NC=N3)C(=O)OCC)C4=CC(=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C(=C(C=C2C=C1SC)CN3C=NC=N3)C(=O)OCC)C4=CC(=CC=C4)CC5=CC=CC=C5

InChI

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