2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-4-chloranyl-6-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-4-chloranyl-6-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-chloro-2-[(2,6-dichlorophenyl)methylsulfanyl]-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-chloro-2-[(2,6-dichlorophenyl)methylthio]-6-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-chloro-2-[(2,6-dichlorophenyl)methylsulfanyl]-6-phenylpyrimidine-5-carbonitrile Traditional Name: 4-chloro-2-[(2,6-dichlorobenzyl)thio]-6-phenyl-pyrimidine-5-carbonitrile Formula: C18H10Cl3N3S MolecularWeight: 406.7161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=C(C=CC=C3Cl)Cl)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC3=C(C=CC=C3Cl)Cl)Cl)C#N

InChI

InChI=1S/C18H10Cl3N3S/c19-14-7-4-8-15(20)13(14)10-25-18-23-16(11-5-2-1-3-6-11)12(9-22)17(21)24-18/h1-8H,10H2