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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC=C3C)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC=C3C)Cl

InChI

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