2-[(4-tert-butylphenoxy)methyl]-4-(4-chlorophenyl)-6-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(4-tert-butylphenoxy)methyl]-4-(4-chlorophenyl)-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-[(4-tert-butylphenoxy)methyl]-4-(4-chlorophenyl)-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 2-[(4-tert-butylphenoxy)methyl]-4-(4-chlorophenyl)-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-[(4-tert-butylphenoxy)methyl]-4-(4-chlorophenyl)-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2-[(4-tert-butylphenoxy)methyl]-4-(4-chlorophenyl)-6-(methylthio)pyrimidine-5-carbonitrile Formula: C23H22ClN3OS MolecularWeight: 423.95828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NC(=C(C(=N2)SC)C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NC(=C(C(=N2)SC)C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H22ClN3OS/c1-23(2,3)16-7-11-18(12-8-16)28-14-20-26-21(15-5-9-17(24)10-6-15)19(13-25)22(27-20)29-4/h5-12H,14H2,1-4H3