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

Systemtic Name: ethyl 7-methylsulfanyl-6-propan-2-ylsulfonyl-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-isopropylsulfonyl-1-(3-isopropylsulfonylphenyl)-7-methylsulfanyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 7-(methylthio)-6-propan-2-ylsulfonyl-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 7-methylsulfanyl-6-propan-2-ylsulfonyl-1-(3-propan-2-ylsulfonylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-isopropylsulfonyl-1-(3-isopropylsulfonylphenyl)-7-(methylthio)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C29H33N3O6S3 MolecularWeight: 615.78382

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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)C(C)C)SC)S(=O)(=O)C(C)C)CN4C=NC=N4

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)S(=O)(=O)C(C)C)SC)S(=O)(=O)C(C)C)CN4C=NC=N4

InChI

InChI=1S/C29H33N3O6S3/c1-7-38-29(33)28-22(15-32-17-30-16-31-32)11-21-13-26(41(36,37)19(4)5)25(39-6)14-24(21)27(28)20-9-8-10-23(12-20)40(34,35)18(2)3/h8-14,16-19H,7,15H2,1-6H3