2-[3-(4-chloranylphenoxy)propylsulfanyl]-6-(4-chlorophenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[3-(4-chloranylphenoxy)propylsulfanyl]-6-(4-chlorophenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[3-(4-chlorophenoxy)propylsulfanyl]-6-(4-chlorophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[3-(4-chlorophenoxy)propylthio]-6-(4-chlorophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[3-(4-chlorophenoxy)propylsulfanyl]-6-(4-chlorophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[3-(4-chlorophenoxy)propylthio]-6-(4-chlorophenyl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C20H15Cl2N3O2S MolecularWeight: 432.323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=O)N=C(N2)SCCCOC3=CC=C(C=C3)Cl)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=O)N=C(N2)SCCCOC3=CC=C(C=C3)Cl)C#N)Cl

InChI

InChI=1S/C20H15Cl2N3O2S/c21-14-4-2-13(3-5-14)18-17(12-23)19(26)25-20(24-18)28-11-1-10-27-16-8-6-15(22)7-9-16/h2-9H,1,10-11H2,(H,24,25,26)