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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-phenyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-phenyl-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 5-(1,3-benzodioxol-5-yl)-3-phenyl-2-sulfanylidene-4H-thiazolo[4,5-d]pyrimidin-7-one IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-phenyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-phenyl-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-7-one Formula: C18H11N3O3S2 MolecularWeight: 381.42824

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC(=O)C4=C(N3)N(C(=S)S4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC(=O)C4=C(N3)N(C(=S)S4)C5=CC=CC=C5

InChI

InChI=1S/C18H11N3O3S2/c22-17-14-16(21(18(25)26-14)11-4-2-1-3-5-11)19-15(20-17)10-6-7-12-13(8-10)24-9-23-12/h1-8H,9H2,(H,19,20,22)