5-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole-3-thiolate CAS Name: 5-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole-3-thiolate Formula: C16H11ClN3O2S- MolecularWeight: 344.79544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O2S/c17-11-3-1-10(2-4-11)15-18-19-16(23)20(15)12-5-6-13-14(9-12)22-8-7-21-13/h1-6,9H,7-8H2,(H,19,23)/p-1