2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[5-[(1-methyl-2-pyrrolyl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[[5-[(1-methylpyrrol-2-yl)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-morpholino-ethanone Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4CCOCC4

Isomeric SMILES

CN1C=CC=C1CC2=NN=C(N2CCC3=CC=CC=C3)SCC(=O)N4CCOCC4

InChI

InChI=1S/C22H27N5O2S/c1-25-10-5-8-19(25)16-20-23-24-22(27(20)11-9-18-6-3-2-4-7-18)30-17-21(28)26-12-14-29-15-13-26/h2-8,10H,9,11-17H2,1H3