5-(4-chlorophenyl)sulfanyl-2-[(2-methylphenyl)methylsulfanyl]-N-phenyl-pyrimidine-4-carboxamide

Systemtic Name: 5-(4-chlorophenyl)sulfanyl-2-[(2-methylphenyl)methylsulfanyl]-N-phenyl-pyrimidine-4-carboxamide Openeye Name: 5-(4-chlorophenyl)sulfanyl-2-(o-tolylmethylsulfanyl)-N-phenyl-pyrimidine-4-carboxamide CAS Name: 5-[(4-chlorophenyl)thio]-2-[(2-methylphenyl)methylthio]-N-phenyl-4-pyrimidinecarboxamide IUPAC Name: 5-(4-chlorophenyl)sulfanyl-2-[(2-methylphenyl)methylsulfanyl]-N-phenylpyrimidine-4-carboxamide Traditional Name: 5-[(4-chlorophenyl)thio]-2-[(2-methylbenzyl)thio]-N-phenyl-pyrimidine-4-carboxamide Formula: C25H20ClN3OS2 MolecularWeight: 478.0288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC=C3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=CC=CC=C3)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H20ClN3OS2/c1-17-7-5-6-8-18(17)16-31-25-27-15-22(32-21-13-11-19(26)12-14-21)23(29-25)24(30)28-20-9-3-2-4-10-20/h2-15H,16H2,1H3,(H,28,30)