2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)ethanone Openeye Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 2-[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone Traditional Name: 1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]ethanone Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NN=C(N2C3CC3)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NN=C(N2C3CC3)N4CCOCC4

InChI

InChI=1S/C20H27N5O2S/c1-4-7-24-14(2)12-17(15(24)3)18(26)13-28-20-22-21-19(25(20)16-5-6-16)23-8-10-27-11-9-23/h4,12,16H,1,5-11,13H2,2-3H3