4-(3-chlorophenyl)-6-methyl-2-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide

Systemtic Name: 4-(3-chlorophenyl)-6-methyl-2-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide Openeye Name: 4-(3-chlorophenyl)-N-[(E)-cinnamyl]-6-methyl-2-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: 4-(3-chlorophenyl)-6-methyl-2-(methylthio)-N-[(E)-3-phenylprop-2-enyl]-5-pyrimidinecarboxamide IUPAC Name: 4-(3-chlorophenyl)-6-methyl-2-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]pyrimidine-5-carboxamide Traditional Name: 4-(3-chlorophenyl)-N-[(E)-cinnamyl]-6-methyl-2-(methylthio)pyrimidine-5-carboxamide Formula: C22H20ClN3OS MolecularWeight: 409.9317

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3OS/c1-15-19(21(27)24-13-7-10-16-8-4-3-5-9-16)20(26-22(25-15)28-2)17-11-6-12-18(23)14-17/h3-12,14H,13H2,1-2H3,(H,24,27)/b10-7+