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

Systemtic Name: 2-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxamide Openeye Name: 2-[2-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carboxamide CAS Name: 2-[[2-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarboxamide IUPAC Name: 2-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide Traditional Name: 2-[[2-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]-2-keto-ethyl]thio]-4,6-dimethyl-nicotinamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-10-6-11(2)22-20(18(10)19(21)26)28-9-16(25)15-7-12(3)24(14(15)5)17-8-13(4)27-23-17/h6-8H,9H2,1-5H3,(H2,21,26)