6-(3-ethoxy-4-oxidanyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(3-ethoxy-4-oxidanyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(3-ethoxy-4-hydroxy-phenyl)-4-oxo-2-thioxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(3-ethoxy-4-hydroxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(3-ethoxy-4-hydroxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(3-ethoxy-4-hydroxy-phenyl)-4-keto-2-thioxo-1H-pyrimidine-5-carbonitrile Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=C(C(=O)NC(=S)N2)C#N)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=C(C(=O)NC(=S)N2)C#N)O

InChI

InChI=1S/C13H11N3O3S/c1-2-19-10-5-7(3-4-9(10)17)11-8(6-14)12(18)16-13(20)15-11/h3-5,17H,2H2,1H3,(H2,15,16,18,20)