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

Systemtic Name: 6-(4-ethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-ethylphenyl)-4-oxo-2-thioxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-ethylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-ethylphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(4-ethylphenyl)-4-keto-2-thioxo-1H-pyrimidine-5-carbonitrile Formula: C13H11N3OS MolecularWeight: 257.31094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)C#N

InChI

InChI=1S/C13H11N3OS/c1-2-8-3-5-9(6-4-8)11-10(7-14)12(17)16-13(18)15-11/h3-6H,2H2,1H3,(H2,15,16,17,18)