5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-(benzofuran-2-yl)-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-(2-benzofuranyl)-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-(benzofuran-2-yl)-4-phenyl-1,2,4-triazole-3-thiolate Formula: C16H10N3OS- MolecularWeight: 292.3351

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2[S-])C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2[S-])C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C16H11N3OS/c21-16-18-17-15(19(16)12-7-2-1-3-8-12)14-10-11-6-4-5-9-13(11)20-14/h1-10H,(H,18,21)/p-1