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

Systemtic Name: N-(4-ethylphenyl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(4-ethylphenyl)-3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(4-ethylphenyl)-3-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(4-ethylphenyl)-3-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(4-ethylphenyl)-3-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propionamide Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3OS/c1-3-17-9-11-19(12-10-17)25-21(26)13-14-27-22-15-20(23-16(2)24-22)18-7-5-4-6-8-18/h4-12,15H,3,13-14H2,1-2H3,(H,25,26)