4-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-2-ethyl-6-methyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-2-ethyl-6-methyl-pyrimidine-5-carbonitrile Openeye Name: 4-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-2-ethyl-6-methyl-pyrimidine-5-carbonitrile CAS Name: 4-[[4-(2-cyanophenyl)phenyl]methylthio]-2-ethyl-6-methyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-2-ethyl-6-methylpyrimidine-5-carbonitrile Traditional Name: 4-[[4-(2-cyanophenyl)benzyl]thio]-2-ethyl-6-methyl-pyrimidine-5-carbonitrile Formula: C22H18N4S MolecularWeight: 370.47012

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C#N)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C#N)C

InChI

InChI=1S/C22H18N4S/c1-3-21-25-15(2)20(13-24)22(26-21)27-14-16-8-10-17(11-9-16)19-7-5-4-6-18(19)12-23/h4-11H,3,14H2,1-2H3