1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-[[4-ethyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)thio]ethanone Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)C3=CC4=C(C=C3)OCO4)C)N5CCOCC5

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)C3=CC4=C(C=C3)OCO4)C)N5CCOCC5

InChI

InChI=1S/C23H27N5O4S/c1-4-27-22(26-7-9-30-10-8-26)24-25-23(27)33-13-19(29)18-11-15(2)28(16(18)3)17-5-6-20-21(12-17)32-14-31-20/h5-6,11-12H,4,7-10,13-14H2,1-3H3