2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-propyl-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-propyl-pyrrol-3-yl)ethanone Openeye Name: 2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone CAS Name: 2-[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-1-(2,5-dimethyl-1-propyl-3-pyrrolyl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethyl-1-propylpyrrol-3-yl)ethanone Traditional Name: 2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)ethanone Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CSC2=NN=C(N2C3CC3)N4CCOCC4)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CSC2=NN=C(N2C3CC3)N4CCOCC4)C

InChI

InChI=1S/C20H29N5O2S/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/h12,16H,4-11,13H2,1-3H3