2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone

Systemtic Name: 2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone Openeye Name: 2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-1-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]ethanone CAS Name: 2-[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]-1-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]ethanone IUPAC Name: 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone Traditional Name: 2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]-1-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]ethanone Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCC(=O)C2=C(N(C(=C2)C)C3=NOC(=C3)C)C)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCC(=O)C2=C(N(C(=C2)C)C3=NOC(=C3)C)C)C)C

InChI

InChI=1S/C21H28N4O2S/c1-7-8-9-24-16(5)15(4)22-21(24)28-12-19(26)18-10-13(2)25(17(18)6)20-11-14(3)27-23-20/h10-11H,7-9,12H2,1-6H3