N-(4-ethylphenyl)-2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(4-ethylphenyl)-2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: N-(4-ethylphenyl)-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: N-(4-ethylphenyl)-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: N-(4-ethylphenyl)-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: N-(4-ethylphenyl)-2-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]propionamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=O)C=C(N2)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=O)C=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S/c1-3-15-9-11-17(12-10-15)22-20(26)14(2)27-21-23-18(13-19(25)24-21)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,22,26)(H,23,24,25)