N-(4-butylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide

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

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3OS/c1-2-3-7-18-10-12-20(13-11-18)26-22(27)14-15-28-23-16-21(24-17-25-23)19-8-5-4-6-9-19/h4-6,8-13,16-17H,2-3,7,14-15H2,1H3,(H,26,27)