4-[3-chloranyl-4-[2-[[1-[2-chloranyl-4-methyl-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]phenyl]-2,2-dimethyl-but-3-ynoic acid

Systemtic Name: 4-[3-chloranyl-4-[2-[[1-[2-chloranyl-4-methyl-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]phenyl]-2,2-dimethyl-but-3-ynoic acid Openeye Name: 4-[3-chloro-4-[[2-[1-[2-chloro-4-methyl-5-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]phenyl]-2,2-dimethyl-but-3-ynoic acid CAS Name: 4-[3-chloro-4-[[2-[[1-[2-chloro-4-methyl-5-(trifluoromethyl)phenyl]-5-tetrazolyl]thio]-1-oxoethyl]amino]phenyl]-2,2-dimethyl-3-butynoic acid IUPAC Name: 4-[3-chloro-4-[[2-[1-[2-chloro-4-methyl-5-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanylacetyl]amino]phenyl]-2,2-dimethylbut-3-ynoic acid Traditional Name: 4-[3-chloro-4-[[2-[[1-[2-chloro-4-methyl-5-(trifluoromethyl)phenyl]tetrazol-5-yl]thio]acetyl]amino]phenyl]-2,2-dimethyl-but-3-ynoic acid Formula: C23H18Cl2F3N5O3S MolecularWeight: 572.38693

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(F)(F)F)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C#CC(C)(C)C(=O)O)Cl)Cl

Isomeric SMILES

CC1=CC(=C(C=C1C(F)(F)F)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)C#CC(C)(C)C(=O)O)Cl)Cl

InChI

InChI=1S/C23H18Cl2F3N5O3S/c1-12-8-16(25)18(10-14(12)23(26,27)28)33-21(30-31-32-33)37-11-19(34)29-17-5-4-13(9-15(17)24)6-7-22(2,3)20(35)36/h4-5,8-10H,11H2,1-3H3,(H,29,34)(H,35,36)