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

Systemtic Name: N-(3-ethanoylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(3-acetylphenyl)-2-(m-tolylmethylsulfanyl)-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: N-(3-acetylphenyl)-2-[(3-methylphenyl)methylthio]-5-[(4-methylphenyl)thio]-4-pyrimidinecarboxamide IUPAC Name: N-(3-acetylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanylpyrimidine-4-carboxamide Traditional Name: N-(3-acetylphenyl)-2-[(3-methylbenzyl)thio]-5-(p-tolylthio)pyrimidine-4-carboxamide Formula: C28H25N3O2S2 MolecularWeight: 499.647

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=CC=CC(=C3)C(=O)C)SCC4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=CC=CC(=C3)C(=O)C)SCC4=CC=CC(=C4)C

InChI

InChI=1S/C28H25N3O2S2/c1-18-10-12-24(13-11-18)35-25-16-29-28(34-17-21-7-4-6-19(2)14-21)31-26(25)27(33)30-23-9-5-8-22(15-23)20(3)32/h4-16H,17H2,1-3H3,(H,30,33)