1-(4-pentylphenyl)-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-pentylphenyl)-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-pentylphenyl)-2-[4-(2-thienyl)pyrimidin-2-yl]sulfanyl-ethanone CAS Name: 1-(4-pentylphenyl)-2-[(4-thiophen-2-yl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(4-pentylphenyl)-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(4-amylphenyl)-2-[[4-(2-thienyl)pyrimidin-2-yl]thio]ethanone Formula: C21H22N2OS2 MolecularWeight: 382.54218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CS3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)CSC2=NC=CC(=N2)C3=CC=CS3

InChI

InChI=1S/C21H22N2OS2/c1-2-3-4-6-16-8-10-17(11-9-16)19(24)15-26-21-22-13-12-18(23-21)20-7-5-14-25-20/h5,7-14H,2-4,6,15H2,1H3