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

Systemtic Name: 5-chloranyl-2-[(4-methylphenyl)methylsulfanyl]-N-(phenylmethyl)pyrimidine-4-carboxamide Openeye Name: N-benzyl-5-chloro-2-(p-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-[(4-methylphenyl)methylthio]-N-(phenylmethyl)-4-pyrimidinecarboxamide IUPAC Name: N-benzyl-5-chloro-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: N-benzyl-5-chloro-2-[(4-methylbenzyl)thio]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)NCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H18ClN3OS/c1-14-7-9-16(10-8-14)13-26-20-23-12-17(21)18(24-20)19(25)22-11-15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3,(H,22,25)