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

Systemtic Name: ethyl 1-(3-methylsulfanylphenyl)-6-(phenylmethyl)-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Openeye Name: ethyl 6-benzyl-7-isopropylsulfonyl-1-(3-methylsulfanylphenyl)-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate CAS Name: 1-[3-(methylthio)phenyl]-6-(phenylmethyl)-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-2-naphthalenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-1-(3-methylsulfanylphenyl)-7-propan-2-ylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylate Traditional Name: 6-benzyl-7-isopropylsulfonyl-1-[3-(methylthio)phenyl]-3-(1,2,4-triazol-1-ylmethyl)naphthalene-2-carboxylic acid ethyl ester Formula: C33H33N3O4S2 MolecularWeight: 599.76282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)SC)S(=O)(=O)C(C)C)CC4=CC=CC=C4)CN5C=NC=N5

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C(C(=CC2=C1C3=CC(=CC=C3)SC)S(=O)(=O)C(C)C)CC4=CC=CC=C4)CN5C=NC=N5

InChI

InChI=1S/C33H33N3O4S2/c1-5-40-33(37)32-27(19-36-21-34-20-35-36)16-25-15-26(14-23-10-7-6-8-11-23)30(42(38,39)22(2)3)18-29(25)31(32)24-12-9-13-28(17-24)41-4/h6-13,15-18,20-22H,5,14,19H2,1-4H3