5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C16H12N3O2S- MolecularWeight: 310.35038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)[S-]

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)[S-]

InChI

InChI=1S/C16H13N3O2S/c22-16-18-17-15(19(16)11-6-2-1-3-7-11)14-10-20-12-8-4-5-9-13(12)21-14/h1-9,14H,10H2,(H,18,22)/p-1/t14-/m1/s1