N-(2,6-diethylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(2,6-diethylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(2,6-diethylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(2,6-diethylphenyl)-3-[(6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(2,6-diethylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(2,6-diethylphenyl)-3-[(6-phenylpyrimidin-4-yl)thio]propionamide Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CCSC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CCSC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3OS/c1-3-17-11-8-12-18(4-2)23(17)26-21(27)13-14-28-22-15-20(24-16-25-22)19-9-6-5-7-10-19/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,26,27)