4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazole-3-thiolate Formula: C19H14N5O2S- MolecularWeight: 376.41176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3C(=NN=C3[S-])C4=CC(=NN4)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C(=NN=C3[S-])C4=CC(=NN4)C5=CC=CC=C5

InChI

InChI=1S/C19H15N5O2S/c27-19-23-22-18(15-11-14(20-21-15)12-4-2-1-3-5-12)24(19)13-6-7-16-17(10-13)26-9-8-25-16/h1-7,10-11H,8-9H2,(H,20,21)(H,23,27)/p-1