2-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxamide

Systemtic Name: 2-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxamide Openeye Name: 2-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxamide CAS Name: 2-[[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarboxamide IUPAC Name: 2-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide Traditional Name: 2-[[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-4,6-dimethyl-nicotinamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)N)SCC(=O)C2=C(N(C(=C2)C)CC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)N)SCC(=O)C2=C(N(C(=C2)C)CC3=CC=CC=C3)C)C

InChI

InChI=1S/C23H25N3O2S/c1-14-10-15(2)25-23(21(14)22(24)28)29-13-20(27)19-11-16(3)26(17(19)4)12-18-8-6-5-7-9-18/h5-11H,12-13H2,1-4H3,(H2,24,28)