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

Systemtic Name: 5-(3,4-diethoxyphenyl)-3-phenyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-(3,4-diethoxyphenyl)-3-phenyl-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 5-(3,4-diethoxyphenyl)-3-phenyl-2-sulfanylidene-4H-thiazolo[4,5-d]pyrimidin-7-one IUPAC Name: 5-(3,4-diethoxyphenyl)-3-phenyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-(3,4-diethoxyphenyl)-3-phenyl-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-7-one Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=O)C3=C(N2)N(C(=S)S3)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=O)C3=C(N2)N(C(=S)S3)C4=CC=CC=C4)OCC

InChI

InChI=1S/C21H19N3O3S2/c1-3-26-15-11-10-13(12-16(15)27-4-2)18-22-19-17(20(25)23-18)29-21(28)24(19)14-8-6-5-7-9-14/h5-12H,3-4H2,1-2H3,(H,22,23,25)