5-(phenoxymethyl)-4-phenyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(phenoxymethyl)-4-phenyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione Openeye Name: 5-(phenoxymethyl)-4-phenyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione CAS Name: 5-(phenoxymethyl)-4-phenyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione IUPAC Name: 5-(phenoxymethyl)-4-phenyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione Traditional Name: 5-(phenoxymethyl)-4-phenyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione Formula: C28H21N3O2S MolecularWeight: 463.55024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN(C2=S)C3C4=CC=CC=C4OC5=CC=CC=C35)COC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN(C2=S)C3C4=CC=CC=C4OC5=CC=CC=C35)COC6=CC=CC=C6

InChI

InChI=1S/C28H21N3O2S/c34-28-30(20-11-3-1-4-12-20)26(19-32-21-13-5-2-6-14-21)29-31(28)27-22-15-7-9-17-24(22)33-25-18-10-8-16-23(25)27/h1-18,27H,19H2