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

Systemtic Name: N-(4-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-5-phenylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(4-ethylphenyl)-2-(m-tolylmethylsulfanyl)-5-phenylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-(4-ethylphenyl)-2-[(3-methylphenyl)methylthio]-5-(phenylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(4-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-5-phenylsulfanylpyrimidine-4-carboxamide Traditional Name: N-(4-ethylphenyl)-2-[(3-methylbenzyl)thio]-5-(phenylthio)pyrimidine-4-carboxamide Formula: C27H25N3OS2 MolecularWeight: 471.6369

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=CC(=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=CC(=C4)C

InChI

InChI=1S/C27H25N3OS2/c1-3-20-12-14-22(15-13-20)29-26(31)25-24(33-23-10-5-4-6-11-23)17-28-27(30-25)32-18-21-9-7-8-19(2)16-21/h4-17H,3,18H2,1-2H3,(H,29,31)