5-(4-chloranyl-1-methyl-pyrazol-3-yl)-4-(4-ethoxyphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(4-chloranyl-1-methyl-pyrazol-3-yl)-4-(4-ethoxyphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-chloro-1-methyl-pyrazol-3-yl)-4-(4-ethoxyphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(4-chloro-1-methyl-3-pyrazolyl)-4-(4-ethoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-chloro-1-methylpyrazol-3-yl)-4-(4-ethoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-chloro-1-methyl-pyrazol-3-yl)-4-p-phenetyl-1,2,4-triazole-3-thiolate Formula: C14H13ClN5OS- MolecularWeight: 334.80392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2[S-])C3=NN(C=C3Cl)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2[S-])C3=NN(C=C3Cl)C

InChI

InChI=1S/C14H14ClN5OS/c1-3-21-10-6-4-9(5-7-10)20-13(16-17-14(20)22)12-11(15)8-19(2)18-12/h4-8H,3H2,1-2H3,(H,17,22)/p-1