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

Systemtic Name: 2-oxidanylidene-4-phenacylsulfanyl-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-oxo-4-phenacylsulfanyl-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-oxo-4-(phenacylthio)-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-oxo-4-phenacylsulfanyl-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-keto-4-(phenacylthio)-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C19H13N3O2S MolecularWeight: 347.39042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC(=O)N2)SCC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=O)N2)SCC(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C19H13N3O2S/c20-11-15-17(14-9-5-2-6-10-14)21-19(24)22-18(15)25-12-16(23)13-7-3-1-4-8-13/h1-10H,12H2,(H,21,22,24)