N-(4-butylphenyl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(4-butylphenyl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(4-butylphenyl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(4-butylphenyl)-3-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(4-butylphenyl)-3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(4-butylphenyl)-3-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propionamide Formula: C24H27N3OS MolecularWeight: 405.55568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CCSC2=NC(=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CCSC2=NC(=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C24H27N3OS/c1-3-4-8-19-11-13-21(14-12-19)27-23(28)15-16-29-24-17-22(25-18(2)26-24)20-9-6-5-7-10-20/h5-7,9-14,17H,3-4,8,15-16H2,1-2H3,(H,27,28)