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

Systemtic Name: 4-(2,5-dimethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-benzyl-4-(2,5-dimethoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(2,5-dimethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-benzyl-4-(2,5-dimethoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-benzyl-4-(2,5-dimethoxyphenyl)-1,2,4-triazole-3-thiolate Formula: C17H16N3O2S- MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=NN=C2[S-])CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=NN=C2[S-])CC3=CC=CC=C3

InChI

InChI=1S/C17H17N3O2S/c1-21-13-8-9-15(22-2)14(11-13)20-16(18-19-17(20)23)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,19,23)/p-1