5-chloranyl-N-(3-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(3-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(m-tolyl)-2-(p-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(3-methylphenyl)-2-[(4-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(3-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-[(4-methylbenzyl)thio]-N-(m-tolyl)pyrimidine-4-carboxamide Formula: C20H18ClN3OS MolecularWeight: 383.89442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC(=C3)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC(=C3)C)Cl

InChI

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