5-(1,3-dimethylpyrazol-4-yl)-4-(4-ethoxyphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(1,3-dimethylpyrazol-4-yl)-4-(4-ethoxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(1,3-dimethylpyrazol-4-yl)-4-(4-ethoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(1,3-dimethyl-4-pyrazolyl)-4-(4-ethoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(1,3-dimethylpyrazol-4-yl)-4-(4-ethoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(1,3-dimethylpyrazol-4-yl)-4-p-phenetyl-1,2,4-triazole-3-thiolate Formula: C15H16N5OS- MolecularWeight: 314.38544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2[S-])C3=CN(N=C3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2[S-])C3=CN(N=C3C)C

InChI

InChI=1S/C15H17N5OS/c1-4-21-12-7-5-11(6-8-12)20-14(16-17-15(20)22)13-9-19(3)18-10(13)2/h5-9H,4H2,1-3H3,(H,17,22)/p-1