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

Systemtic Name: 4-oxidanylidene-6-(4-propoxyphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-6-(4-propoxyphenyl)-2-thioxo-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-6-(4-propoxyphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-oxo-6-(4-propoxyphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(4-propoxyphenyl)-2-thioxo-1H-pyrimidine-5-carbonitrile Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)C#N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)C#N

InChI

InChI=1S/C14H13N3O2S/c1-2-7-19-10-5-3-9(4-6-10)12-11(8-15)13(18)17-14(20)16-12/h3-6H,2,7H2,1H3,(H2,16,17,18,20)