5-benzo[e][1]benzofuran-2-yl-3-[[(4-methylphenyl)amino]methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-benzo[e][1]benzofuran-2-yl-3-[[(4-methylphenyl)amino]methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-benzo[e]benzofuran-2-yl-3-[(4-methylanilino)methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(2-benzo[e]benzofuranyl)-3-[(4-methylanilino)methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-benzo[e][1]benzofuran-2-yl-3-[(4-methylanilino)methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-benzo[e]benzofuran-2-yl-3-(p-toluidinomethyl)-1,3,4-oxadiazole-2-thione Formula: C22H17N3O2S MolecularWeight: 387.45428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCN2C(=S)OC(=N2)C3=CC4=C(O3)C=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)NCN2C(=S)OC(=N2)C3=CC4=C(O3)C=CC5=CC=CC=C54

InChI

InChI=1S/C22H17N3O2S/c1-14-6-9-16(10-7-14)23-13-25-22(28)27-21(24-25)20-12-18-17-5-3-2-4-15(17)8-11-19(18)26-20/h2-12,23H,13H2,1H3