6-ethyl-4-oxidanylidene-2-phenacylsulfanyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-ethyl-4-oxidanylidene-2-phenacylsulfanyl-1H-pyrimidine-5-carbonitrile Openeye Name: 6-ethyl-4-oxo-2-phenacylsulfanyl-1H-pyrimidine-5-carbonitrile CAS Name: 6-ethyl-4-oxo-2-(phenacylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-ethyl-4-oxo-2-phenacylsulfanyl-1H-pyrimidine-5-carbonitrile Traditional Name: 6-ethyl-4-keto-2-(phenacylthio)-1H-pyrimidine-5-carbonitrile Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O2S/c1-2-12-11(8-16)14(20)18-15(17-12)21-9-13(19)10-6-4-3-5-7-10/h3-7H,2,9H2,1H3,(H,17,18,20)