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

Systemtic Name: 1-[[4-(3-methylbutyl)-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-isopentyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-(3-methylbutyl)-5-(2-phenyl-4-quinolinyl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-(3-methylbutyl)-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-isoamyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=C1SCC(=O)C)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C(=NN=C1SCC(=O)C)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4OS/c1-17(2)13-14-29-24(27-28-25(29)31-16-18(3)30)21-15-23(19-9-5-4-6-10-19)26-22-12-8-7-11-20(21)22/h4-12,15,17H,13-14,16H2,1-3H3