1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-[(2,6-dimethyl-4-pyrimidinyl)thio]ethanone IUPAC Name: 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-[(2,6-dimethylpyrimidin-4-yl)thio]ethanone Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)SCC(=O)C2=C(N(C(=C2)C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)C)SCC(=O)C2=C(N(C(=C2)C)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H23N3OS/c1-14-10-21(23-17(4)22-14)26-13-20(25)19-11-15(2)24(16(19)3)12-18-8-6-5-7-9-18/h5-11H,12-13H2,1-4H3