4-[3-(4-chloranylphenoxy)propylsulfanyl]-6-methyl-2-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[3-(4-chloranylphenoxy)propylsulfanyl]-6-methyl-2-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-[3-(4-chlorophenoxy)propylsulfanyl]-6-methyl-2-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-[3-(4-chlorophenoxy)propylthio]-6-methyl-2-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[3-(4-chlorophenoxy)propylsulfanyl]-6-methyl-2-phenylpyrimidine-5-carbonitrile Traditional Name: 4-[3-(4-chlorophenoxy)propylthio]-6-methyl-2-phenyl-pyrimidine-5-carbonitrile Formula: C21H18ClN3OS MolecularWeight: 395.90512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCCOC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCCOC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C21H18ClN3OS/c1-15-19(14-23)21(25-20(24-15)16-6-3-2-4-7-16)27-13-5-12-26-18-10-8-17(22)9-11-18/h2-4,6-11H,5,12-13H2,1H3