1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 2-(1-allylbenzimidazol-2-yl)sulfanyl-1-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]ethanone CAS Name: 1-[2,5-dimethyl-1-(5-methyl-3-isoxazolyl)-3-pyrrolyl]-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 2-[(1-allylbenzimidazol-2-yl)thio]-1-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)pyrrol-3-yl]ethanone Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CSC3=NC4=CC=CC=C4N3CC=C

Isomeric SMILES

CC1=CC(=C(N1C2=NOC(=C2)C)C)C(=O)CSC3=NC4=CC=CC=C4N3CC=C

InChI

InChI=1S/C22H22N4O2S/c1-5-10-25-19-9-7-6-8-18(19)23-22(25)29-13-20(27)17-11-14(2)26(16(17)4)21-12-15(3)28-24-21/h5-9,11-12H,1,10,13H2,2-4H3