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

Systemtic Name: 4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C17H16N3O3S- MolecularWeight: 342.39224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3=CC=CC=C3)[S-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3=CC=CC=C3)[S-]

InChI

InChI=1S/C17H17N3O3S/c1-21-13-9-11(10-14(22-2)15(13)23-3)16-18-19-17(24)20(16)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,19,24)/p-1