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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole-3-thiolate CAS Name: 4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazole-3-thiolate Formula: C16H14N3O2S- MolecularWeight: 312.36626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=NN=C2[S-])C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=NN=C2[S-])C3=CC=CC=C3)OC

InChI

InChI=1S/C16H15N3O2S/c1-20-13-9-8-12(10-14(13)21-2)19-15(17-18-16(19)22)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,22)/p-1