3-(3,4-dimethoxyphenyl)-5-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole

Systemtic Name: 3-(3,4-dimethoxyphenyl)-5-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 3-(3,4-dimethoxyphenyl)-5-[(4-methyl-2-quinolyl)sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 3-(3,4-dimethoxyphenyl)-5-[[(4-methyl-2-quinolinyl)thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(3,4-dimethoxyphenyl)-5-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-(3,4-dimethoxyphenyl)-5-[[(4-methyl-2-quinolyl)thio]methyl]-1,2,4-oxadiazole Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC3=NC(=NO3)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC3=NC(=NO3)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C21H19N3O3S/c1-13-10-20(22-16-7-5-4-6-15(13)16)28-12-19-23-21(24-27-19)14-8-9-17(25-2)18(11-14)26-3/h4-11H,12H2,1-3H3