2-(quinolin-2-ylsulfanylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(quinolin-2-ylsulfanylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-(2-quinolylsulfanylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-[(2-quinolinylthio)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-(quinolin-2-ylsulfanylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(2-quinolylthio)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H19N3O4S/c1-25-16-10-14(11-17(26-2)20(16)27-3)21-24-23-18(28-21)12-29-19-9-8-13-6-4-5-7-15(13)22-19/h4-11H,12H2,1-3H3