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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-prop-2-enyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-allyl-5-(1,3-benzodioxol-5-yl)-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-7-one CAS Name: 5-(1,3-benzodioxol-5-yl)-3-prop-2-enyl-2-sulfanylidene-4H-thiazolo[4,5-d]pyrimidin-7-one IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-prop-2-enyl-2-sulfanylidene-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-allyl-5-(1,3-benzodioxol-5-yl)-2-thioxo-4H-thiazolo[4,5-d]pyrimidin-7-one Formula: C15H11N3O3S2 MolecularWeight: 345.39614

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C(=O)N=C(N2)C3=CC4=C(C=C3)OCO4)SC1=S

Isomeric SMILES

C=CCN1C2=C(C(=O)N=C(N2)C3=CC4=C(C=C3)OCO4)SC1=S

InChI

InChI=1S/C15H11N3O3S2/c1-2-5-18-13-11(23-15(18)22)14(19)17-12(16-13)8-3-4-9-10(6-8)21-7-20-9/h2-4,6H,1,5,7H2,(H,16,17,19)