5-[3-(5-tert-butyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-chloranyl-benzoate

Systemtic Name: 5-[3-(5-tert-butyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-chloranyl-benzoate Openeye Name: 5-[3-(5-tert-butyl-1H-pyrazol-3-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]-2-chloro-benzoate CAS Name: 5-[3-(5-tert-butyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-chlorobenzoate IUPAC Name: 5-[3-(5-tert-butyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-chlorobenzoate Traditional Name: 5-[3-(5-tert-butyl-1H-pyrazol-3-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]-2-chloro-benzoate Formula: C16H15ClN5O2S- MolecularWeight: 376.8406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1)C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=NN1)C2=NNC(=S)N2C3=CC(=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C16H16ClN5O2S/c1-16(2,3)12-7-11(18-19-12)13-20-21-15(25)22(13)8-4-5-10(17)9(6-8)14(23)24/h4-7H,1-3H3,(H,18,19)(H,21,25)(H,23,24)/p-1