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

Systemtic Name: ethyl 7-methoxy-6-methylsulfanyl-1-[3-(phenylsulfonyl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 1-[3-(benzenesulfonyl)phenyl]-7-methoxy-6-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-[3-(benzenesulfonyl)phenyl]-7-methoxy-6-(methylthio)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(benzenesulfonyl)phenyl]-7-methoxy-6-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 1-(3-besylphenyl)-7-methoxy-6-(methylthio)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C30H27N3O5S2 MolecularWeight: 573.68248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)S(=O)(=O)C4=CC=CC=C4)OC)SC)CN5C=NC=N5

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)S(=O)(=O)C4=CC=CC=C4)OC)SC)CN5C=NC=N5

InChI

InChI=1S/C30H27N3O5S2/c1-4-38-30(34)29-22(17-33-19-31-18-32-33)13-21-15-27(39-3)26(37-2)16-25(21)28(29)20-9-8-12-24(14-20)40(35,36)23-10-6-5-7-11-23/h5-16,18-19H,4,17H2,1-3H3