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

Systemtic Name: 5-[3-(5-tert-butyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-chloranyl-benzoic acid Openeye Name: 5-[3-(5-tert-butyl-1H-pyrazol-3-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]-2-chloro-benzoic acid CAS Name: 5-[3-(5-tert-butyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-chlorobenzoic acid IUPAC Name: 5-[3-(5-tert-butyl-1H-pyrazol-3-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-chlorobenzoic acid Traditional Name: 5-[3-(5-tert-butyl-1H-pyrazol-3-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]-2-chloro-benzoic acid Formula: C16H16ClN5O2S MolecularWeight: 377.84854

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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)