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

Systemtic Name: ethyl 6-methylsulfanyl-1-(3-phenoxysulfonylphenyl)-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 7-isopropylsulfonyl-6-methylsulfanyl-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 6-(methylthio)-1-(3-phenoxysulfonylphenyl)-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-methylsulfanyl-1-(3-phenoxysulfonylphenyl)-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 7-isopropylsulfonyl-6-(methylthio)-1-(3-phenoxysulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C32H31N3O7S3 MolecularWeight: 665.79944

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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)OC4=CC=CC=C4)S(=O)(=O)C(C)C)SC)CN5C=NC=N5

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)C(C)C)SC)CN5C=NC=N5

InChI

InChI=1S/C32H31N3O7S3/c1-5-41-32(36)31-24(18-35-20-33-19-34-35)14-23-16-28(43-4)29(44(37,38)21(2)3)17-27(23)30(31)22-10-9-13-26(15-22)45(39,40)42-25-11-7-6-8-12-25/h6-17,19-21H,5,18H2,1-4H3