2-[(2-chloranylphenoxy)methyl]-4-(4-methoxyphenyl)-6-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(2-chloranylphenoxy)methyl]-4-(4-methoxyphenyl)-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-[(2-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 2-[(2-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-[(2-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 2-[(2-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-6-(methylthio)pyrimidine-5-carbonitrile Formula: C20H16ClN3O2S MolecularWeight: 397.87794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=NC(=N2)COC3=CC=CC=C3Cl)SC)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=NC(=N2)COC3=CC=CC=C3Cl)SC)C#N

InChI

InChI=1S/C20H16ClN3O2S/c1-25-14-9-7-13(8-10-14)19-15(11-22)20(27-2)24-18(23-19)12-26-17-6-4-3-5-16(17)21/h3-10H,12H2,1-2H3