6-(4-chlorophenyl)-4-oxidanylidene-2-phenacylsulfanyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(4-chlorophenyl)-4-oxidanylidene-2-phenacylsulfanyl-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(4-chlorophenyl)-4-oxo-2-phenacylsulfanyl-1H-pyrimidine-5-carbonitrile CAS Name: 6-(4-chlorophenyl)-4-oxo-2-(phenacylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(4-chlorophenyl)-4-oxo-2-phenacylsulfanyl-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(4-chlorophenyl)-4-keto-2-(phenacylthio)-1H-pyrimidine-5-carbonitrile Formula: C19H12ClN3O2S MolecularWeight: 381.83548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C19H12ClN3O2S/c20-14-8-6-13(7-9-14)17-15(10-21)18(25)23-19(22-17)26-11-16(24)12-4-2-1-3-5-12/h1-9H,11H2,(H,22,23,25)