5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazole-3-thiolate Formula: C16H12N3O3S- MolecularWeight: 326.34978

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)[S-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)[S-]

InChI

InChI=1S/C16H13N3O3S/c23-16-18-17-15(19(16)11-4-2-1-3-5-11)9-20-12-6-7-13-14(8-12)22-10-21-13/h1-8H,9-10H2,(H,18,23)/p-1