2-[4-(4-chloranylphenoxy)butylsulfanyl]-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[4-(4-chloranylphenoxy)butylsulfanyl]-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[4-(4-chlorophenoxy)butylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-[4-(4-chlorophenoxy)butylthio]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[4-(4-chlorophenoxy)butylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[4-(4-chlorophenoxy)butylthio]-4-keto-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCCCOC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCCCOC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C21H18ClN3O2S/c22-16-8-10-17(11-9-16)27-12-4-5-13-28-21-24-19(15-6-2-1-3-7-15)18(14-23)20(26)25-21/h1-3,6-11H,4-5,12-13H2,(H,24,25,26)