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

Systemtic Name: N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(4-ethoxyphenyl)-2-(m-tolylmethylsulfanyl)-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylthio]-5-[(4-methylphenyl)thio]-4-pyrimidinecarboxamide IUPAC Name: N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]-5-(4-methylphenyl)sulfanylpyrimidine-4-carboxamide Traditional Name: 2-[(3-methylbenzyl)thio]-N-p-phenetyl-5-(p-tolylthio)pyrimidine-4-carboxamide Formula: C28H27N3O2S2 MolecularWeight: 501.66288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)C)SCC4=CC=CC(=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=C(C=C3)C)SCC4=CC=CC(=C4)C

InChI

InChI=1S/C28H27N3O2S2/c1-4-33-23-12-10-22(11-13-23)30-27(32)26-25(35-24-14-8-19(2)9-15-24)17-29-28(31-26)34-18-21-7-5-6-20(3)16-21/h5-17H,4,18H2,1-3H3,(H,30,32)