N-[2,5-dimethyl-3-(2-pyrimidin-2-ylsulfanylethanoyl)pyrrol-1-yl]benzamide

Systemtic Name: N-[2,5-dimethyl-3-(2-pyrimidin-2-ylsulfanylethanoyl)pyrrol-1-yl]benzamide Openeye Name: N-[2,5-dimethyl-3-(2-pyrimidin-2-ylsulfanylacetyl)pyrrol-1-yl]benzamide CAS Name: N-[2,5-dimethyl-3-[1-oxo-2-(2-pyrimidinylthio)ethyl]-1-pyrrolyl]benzamide IUPAC Name: N-[2,5-dimethyl-3-(2-pyrimidin-2-ylsulfanylacetyl)pyrrol-1-yl]benzamide Traditional Name: N-[2,5-dimethyl-3-[2-(2-pyrimidylthio)acetyl]pyrrol-1-yl]benzamide Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C19H18N4O2S/c1-13-11-16(17(24)12-26-19-20-9-6-10-21-19)14(2)23(13)22-18(25)15-7-4-3-5-8-15/h3-11H,12H2,1-2H3,(H,22,25)