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

Systemtic Name: 4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C17H16N3OS- MolecularWeight: 310.39344

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)[S-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)[S-]

InChI

InChI=1S/C17H17N3OS/c1-2-12-21-15-10-8-13(9-11-15)16-18-19-17(22)20(16)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,22)/p-1