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

Systemtic Name: 1-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 1-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-[[4-ethyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-ethyl-5-morpholino-1,2,4-triazol-3-yl)thio]-1-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C19H29N5O2S MolecularWeight: 391.53086

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)C(C)C)C)N3CCOCC3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)C(C)C)C)N3CCOCC3

InChI

InChI=1S/C19H29N5O2S/c1-6-23-18(22-7-9-26-10-8-22)20-21-19(23)27-12-17(25)16-11-14(4)24(13(2)3)15(16)5/h11,13H,6-10,12H2,1-5H3