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

Systemtic Name: N-(3-ethanoylphenyl)-2-[(2-methylphenyl)methylsulfanyl]-5-phenylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(3-acetylphenyl)-2-(o-tolylmethylsulfanyl)-5-phenylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-(3-acetylphenyl)-2-[(2-methylphenyl)methylthio]-5-(phenylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(3-acetylphenyl)-2-[(2-methylphenyl)methylsulfanyl]-5-phenylsulfanylpyrimidine-4-carboxamide Traditional Name: N-(3-acetylphenyl)-2-[(2-methylbenzyl)thio]-5-(phenylthio)pyrimidine-4-carboxamide Formula: C27H23N3O2S2 MolecularWeight: 485.62042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O2S2/c1-18-9-6-7-10-21(18)17-33-27-28-16-24(34-23-13-4-3-5-14-23)25(30-27)26(32)29-22-12-8-11-20(15-22)19(2)31/h3-16H,17H2,1-2H3,(H,29,32)