4-[2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethoxy]benzenesulfonamide

Systemtic Name: 4-[2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethoxy]benzenesulfonamide Openeye Name: 4-[2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethoxy]benzenesulfonamide CAS Name: 4-[2-[(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethoxy]benzenesulfonamide Traditional Name: 4-[2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)thio]ethoxy]benzenesulfonamide Formula: C21H19N3O3S3 MolecularWeight: 457.58886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCCOC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCCOC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H19N3O3S3/c1-14-23-20(18-13-19(29-21(18)24-14)15-5-3-2-4-6-15)28-12-11-27-16-7-9-17(10-8-16)30(22,25)26/h2-10,13H,11-12H2,1H3,(H2,22,25,26)