5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione Openeye Name: 5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione CAS Name: 5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-ethoxyphenyl)-4-ethyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-5-p-phenetyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione Formula: C25H23N3O2S MolecularWeight: 429.53402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C2C3=CC=CC=C3OC4=CC=CC=C24)C5=CC=C(C=C5)OCC

Isomeric SMILES

CCN1C(=NN(C1=S)C2C3=CC=CC=C3OC4=CC=CC=C24)C5=CC=C(C=C5)OCC

InChI

InChI=1S/C25H23N3O2S/c1-3-27-24(17-13-15-18(16-14-17)29-4-2)26-28(25(27)31)23-19-9-5-7-11-21(19)30-22-12-8-6-10-20(22)23/h5-16,23H,3-4H2,1-2H3