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

Systemtic Name: 4-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-6-methyl-2-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-[(2,6-dichlorophenyl)methylsulfanyl]-6-methyl-2-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-[(2,6-dichlorophenyl)methylthio]-6-methyl-2-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[(2,6-dichlorophenyl)methylsulfanyl]-6-methyl-2-phenylpyrimidine-5-carbonitrile Traditional Name: 4-[(2,6-dichlorobenzyl)thio]-6-methyl-2-phenyl-pyrimidine-5-carbonitrile Formula: C19H13Cl2N3S MolecularWeight: 386.29762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC3=C(C=CC=C3Cl)Cl)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC3=C(C=CC=C3Cl)Cl)C#N

InChI

InChI=1S/C19H13Cl2N3S/c1-12-14(10-22)19(24-18(23-12)13-6-3-2-4-7-13)25-11-15-16(20)8-5-9-17(15)21/h2-9H,11H2,1H3