6-(1,3-benzodioxol-5-yl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(1,3-benzodioxol-5-yl)-4-oxo-2-thioxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(1,3-benzodioxol-5-yl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(1,3-benzodioxol-5-yl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(1,3-benzodioxol-5-yl)-4-keto-2-thioxo-1H-pyrimidine-5-carbonitrile Formula: C12H7N3O3S MolecularWeight: 273.26728

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)NC(=S)N3)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(=O)NC(=S)N3)C#N

InChI

InChI=1S/C12H7N3O3S/c13-4-7-10(14-12(19)15-11(7)16)6-1-2-8-9(3-6)18-5-17-8/h1-3H,5H2,(H2,14,15,16,19)