6-(3-methoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(3-methoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(3-methoxyphenyl)-4-oxo-2-thioxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(3-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(3-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(3-methoxyphenyl)-2-thioxo-1H-pyrimidine-5-carbonitrile Formula: C12H9N3O2S MolecularWeight: 259.28376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C(=O)NC(=S)N2)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C(=O)NC(=S)N2)C#N

InChI

InChI=1S/C12H9N3O2S/c1-17-8-4-2-3-7(5-8)10-9(6-13)11(16)15-12(18)14-10/h2-5H,1H3,(H2,14,15,16,18)