4-phenyl-3-(2-phenyl-2,3-dihydro-1,4-benzodioxin-3-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-phenyl-3-(2-phenyl-2,3-dihydro-1,4-benzodioxin-3-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-phenyl-3-(2-phenyl-2,3-dihydro-1,4-benzodioxin-3-yl)-1H-1,2,4-triazole-5-thione CAS Name: 4-phenyl-3-(2-phenyl-2,3-dihydro-1,4-benzodioxin-3-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-phenyl-3-(2-phenyl-2,3-dihydro-1,4-benzodioxin-3-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-phenyl-3-(2-phenyl-2,3-dihydro-1,4-benzodioxin-3-yl)-1H-1,2,4-triazole-5-thione Formula: C22H17N3O2S MolecularWeight: 387.45428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(OC3=CC=CC=C3O2)C4=NNC(=S)N4C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2C(OC3=CC=CC=C3O2)C4=NNC(=S)N4C5=CC=CC=C5

InChI

InChI=1S/C22H17N3O2S/c28-22-24-23-21(25(22)16-11-5-2-6-12-16)20-19(15-9-3-1-4-10-15)26-17-13-7-8-14-18(17)27-20/h1-14,19-20H,(H,24,28)