1,3-diethyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylethanoyl]benzimidazol-2-one

Systemtic Name: 1,3-diethyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylethanoyl]benzimidazol-2-one Openeye Name: 1,3-diethyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylacetyl]benzimidazol-2-one CAS Name: 1,3-diethyl-5-[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]ethyl]-2-benzimidazolone IUPAC Name: 1,3-diethyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylacetyl]benzimidazol-2-one Traditional Name: 1,3-diethyl-5-[2-[(6-phenylpyrimidin-4-yl)thio]acetyl]benzimidazol-2-one Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)CSC3=NC=NC(=C3)C4=CC=CC=C4)N(C1=O)CC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)CSC3=NC=NC(=C3)C4=CC=CC=C4)N(C1=O)CC

InChI

InChI=1S/C23H22N4O2S/c1-3-26-19-11-10-17(12-20(19)27(4-2)23(26)29)21(28)14-30-22-13-18(24-15-25-22)16-8-6-5-7-9-16/h5-13,15H,3-4,14H2,1-2H3