2-[[4-(4-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

Systemtic Name: 2-[[4-(4-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Openeye Name: 2-[[5-morpholino-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[2-(2-thienyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[[4-(4-methylphenyl)-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-1-(2-thiophen-2-yl-1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-(4-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Traditional Name: 2-[[5-morpholino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-1-[2-(2-thienyl)pyrrolidino]ethanone Formula: C23H27N5O2S2 MolecularWeight: 469.62278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCC3C4=CC=CS4)N5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCC3C4=CC=CS4)N5CCOCC5

InChI

InChI=1S/C23H27N5O2S2/c1-17-6-8-18(9-7-17)28-22(26-11-13-30-14-12-26)24-25-23(28)32-16-21(29)27-10-2-4-19(27)20-5-3-15-31-20/h3,5-9,15,19H,2,4,10-14,16H2,1H3