6-ethyl-4-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-ethyl-4-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-1H-pyrimidine-5-carbonitrile Openeye Name: 6-ethyl-4-oxo-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1H-pyrimidine-5-carbonitrile CAS Name: 6-ethyl-4-oxo-2-[[2-oxo-2-(4-phenylphenyl)ethyl]thio]-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-ethyl-4-oxo-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1H-pyrimidine-5-carbonitrile Traditional Name: 6-ethyl-4-keto-2-[[2-keto-2-(4-phenylphenyl)ethyl]thio]-1H-pyrimidine-5-carbonitrile Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H17N3O2S/c1-2-18-17(12-22)20(26)24-21(23-18)27-13-19(25)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11H,2,13H2,1H3,(H,23,24,26)