5-chloranyl-N-(4-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(4-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-(o-tolylmethylsulfanyl)-N-(p-tolyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(4-methylphenyl)-2-[(2-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(4-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-[(2-methylbenzyl)thio]-N-(p-tolyl)pyrimidine-4-carboxamide Formula: C20H18ClN3OS MolecularWeight: 383.89442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3C

InChI

InChI=1S/C20H18ClN3OS/c1-13-7-9-16(10-8-13)23-19(25)18-17(21)11-22-20(24-18)26-12-15-6-4-3-5-14(15)2/h3-11H,12H2,1-2H3,(H,23,25)