2-[[5-(2-chlorophenyl)-4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-(2-chlorophenyl)-4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(2-chlorophenyl)-4-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-chlorophenyl)-4-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(2-chlorophenyl)-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(2-chlorophenyl)-4-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-1,2,4-triazol-3-yl]thio]acetate Formula: C21H17ClN5O3S- MolecularWeight: 454.90938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=C3SCC(=O)[O-])C4=CC=CC=C4Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=C3SCC(=O)[O-])C4=CC=CC=C4Cl

InChI

InChI=1S/C21H18ClN5O3S/c1-13-18(20(30)27(25(13)2)14-8-4-3-5-9-14)26-19(15-10-6-7-11-16(15)22)23-24-21(26)31-12-17(28)29/h3-11H,12H2,1-2H3,(H,28,29)/p-1