2-[(4-methylphenyl)methylsulfanyl]-N-(3-methylpyridin-2-yl)-5-phenylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-N-(3-methylpyridin-2-yl)-5-phenylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(3-methyl-2-pyridyl)-5-phenylsulfanyl-2-(p-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 2-[(4-methylphenyl)methylthio]-N-(3-methyl-2-pyridinyl)-5-(phenylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-N-(3-methylpyridin-2-yl)-5-phenylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-[(4-methylbenzyl)thio]-N-(3-methyl-2-pyridyl)-5-(phenylthio)pyrimidine-4-carboxamide Formula: C25H22N4OS2 MolecularWeight: 458.59838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=C(C=CC=N3)C)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=C(C=CC=N3)C)SC4=CC=CC=C4

InChI

InChI=1S/C25H22N4OS2/c1-17-10-12-19(13-11-17)16-31-25-27-15-21(32-20-8-4-3-5-9-20)22(28-25)24(30)29-23-18(2)7-6-14-26-23/h3-15H,16H2,1-2H3,(H,26,29,30)