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

Systemtic Name: ethyl 7-methylsulfanyl-1-(3-phenoxysulfonylphenyl)-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-benzyl-7-methylsulfanyl-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-(methylthio)-1-(3-phenoxysulfonylphenyl)-6-(phenylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-7-methylsulfanyl-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-benzyl-7-(methylthio)-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C36H31N3O5S2 MolecularWeight: 649.77844

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)S(=O)(=O)OC4=CC=CC=C4)SC)CC5=CC=CC=C5)CN6C=NC=N6

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)S(=O)(=O)OC4=CC=CC=C4)SC)CC5=CC=CC=C5)CN6C=NC=N6

InChI

InChI=1S/C36H31N3O5S2/c1-3-43-36(40)35-29(22-39-24-37-23-38-39)19-27-18-28(17-25-11-6-4-7-12-25)33(45-2)21-32(27)34(35)26-13-10-16-31(20-26)46(41,42)44-30-14-8-5-9-15-30/h4-16,18-21,23-24H,3,17,22H2,1-2H3