5-(3-ethoxy-4-propoxy-phenyl)-3-phenyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-(3-ethoxy-4-propoxy-phenyl)-3-phenyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-(3-ethoxy-4-propoxy-phenyl)-3-phenyl-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 5-(3-ethoxy-4-propoxyphenyl)-3-phenyl-2-sulfanylidene-4H-thiazolo[4,5-d]pyrimidin-7-one IUPAC Name: 5-(3-ethoxy-4-propoxyphenyl)-3-phenyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-(3-ethoxy-4-propoxy-phenyl)-3-phenyl-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-7-one Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NC(=O)C3=C(N2)N(C(=S)S3)C4=CC=CC=C4)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NC(=O)C3=C(N2)N(C(=S)S3)C4=CC=CC=C4)OCC

InChI

InChI=1S/C22H21N3O3S2/c1-3-12-28-16-11-10-14(13-17(16)27-4-2)19-23-20-18(21(26)24-19)30-22(29)25(20)15-8-6-5-7-9-15/h5-11,13H,3-4,12H2,1-2H3,(H,23,24,26)