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

Systemtic Name: N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]-5-phenylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(4-ethoxyphenyl)-2-(m-tolylmethylsulfanyl)-5-phenylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylthio]-5-(phenylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]-5-phenylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-[(3-methylbenzyl)thio]-5-(phenylthio)-N-p-phenetyl-pyrimidine-4-carboxamide Formula: C27H25N3O2S2 MolecularWeight: 487.6363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O2S2/c1-3-32-22-14-12-21(13-15-22)29-26(31)25-24(34-23-10-5-4-6-11-23)17-28-27(30-25)33-18-20-9-7-8-19(2)16-20/h4-17H,3,18H2,1-2H3,(H,29,31)