4-[3,5-bis(chloranyl)phenyl]-6-methyl-2-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide

Systemtic Name: 4-[3,5-bis(chloranyl)phenyl]-6-methyl-2-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide Openeye Name: N-[(E)-cinnamyl]-4-(3,5-dichlorophenyl)-6-methyl-2-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: 4-(3,5-dichlorophenyl)-6-methyl-2-(methylthio)-N-[(E)-3-phenylprop-2-enyl]-5-pyrimidinecarboxamide IUPAC Name: 4-(3,5-dichlorophenyl)-6-methyl-2-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide Traditional Name: N-[(E)-cinnamyl]-4-(3,5-dichlorophenyl)-6-methyl-2-(methylthio)pyrimidine-5-carboxamide Formula: C22H19Cl2N3OS MolecularWeight: 444.37676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)NCC=CC2=CC=CC=C2)C3=CC(=CC(=C3)Cl)Cl)SC

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)NC/C=C/C2=CC=CC=C2)C3=CC(=CC(=C3)Cl)Cl)SC

InChI

InChI=1S/C22H19Cl2N3OS/c1-14-19(21(28)25-10-6-9-15-7-4-3-5-8-15)20(27-22(26-14)29-2)16-11-17(23)13-18(24)12-16/h3-9,11-13H,10H2,1-2H3,(H,25,28)/b9-6+