2-[(2,5-dimethylphenoxy)methyl]-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(2,5-dimethylphenoxy)methyl]-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole Openeye Name: 2-[(2,5-dimethylphenoxy)methyl]-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole CAS Name: 2-[(2,5-dimethylphenoxy)methyl]-5-(6-phenanthridinylmethylthio)-1,3,4-oxadiazole IUPAC Name: 2-[(2,5-dimethylphenoxy)methyl]-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole Traditional Name: 2-[(2,5-dimethylphenoxy)methyl]-5-(phenanthridin-6-ylmethylthio)-1,3,4-oxadiazole Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)SCC3=NC4=CC=CC=C4C5=CC=CC=C53

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)SCC3=NC4=CC=CC=C4C5=CC=CC=C53

InChI

InChI=1S/C25H21N3O2S/c1-16-11-12-17(2)23(13-16)29-14-24-27-28-25(30-24)31-15-22-20-9-4-3-7-18(20)19-8-5-6-10-21(19)26-22/h3-13H,14-15H2,1-2H3