2-[[4-(3-methylbutyl)-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[4-(3-methylbutyl)-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-isopentyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-(3-methylbutyl)-5-(2-phenyl-4-quinolinyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-(3-methylbutyl)-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-isoamyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C28H31N5OS MolecularWeight: 485.64364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC(C)CCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H31N5OS/c1-20(2)14-17-33-27(30-31-28(33)35-19-26(34)32-15-8-9-16-32)23-18-25(21-10-4-3-5-11-21)29-24-13-7-6-12-22(23)24/h3-7,10-13,18,20H,8-9,14-17,19H2,1-2H3