3-[3-chloranyl-4-[2-[[1-(2-chloranyl-4-cyclopropyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]phenyl]prop-2-ynoic acid

Systemtic Name: 3-[3-chloranyl-4-[2-[[1-(2-chloranyl-4-cyclopropyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoylamino]phenyl]prop-2-ynoic acid Openeye Name: 3-[3-chloro-4-[[2-[1-(2-chloro-4-cyclopropyl-phenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl]prop-2-ynoic acid CAS Name: 3-[3-chloro-4-[[2-[[1-(2-chloro-4-cyclopropylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]phenyl]-2-propynoic acid IUPAC Name: 3-[3-chloro-4-[[2-[1-(2-chloro-4-cyclopropylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl]prop-2-ynoic acid Traditional Name: 3-[3-chloro-4-[[2-[[1-(2-chloro-4-cyclopropyl-phenyl)tetrazol-5-yl]thio]acetyl]amino]phenyl]propiolic acid Formula: C21H15Cl2N5O3S MolecularWeight: 488.3465

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=C(C=C2)N3C(=NN=N3)SCC(=O)NC4=C(C=C(C=C4)C#CC(=O)O)Cl)Cl

Isomeric SMILES

C1CC1C2=CC(=C(C=C2)N3C(=NN=N3)SCC(=O)NC4=C(C=C(C=C4)C#CC(=O)O)Cl)Cl

InChI

InChI=1S/C21H15Cl2N5O3S/c22-15-9-12(2-8-20(30)31)1-6-17(15)24-19(29)11-32-21-25-26-27-28(21)18-7-5-14(10-16(18)23)13-3-4-13/h1,5-7,9-10,13H,3-4,11H2,(H,24,29)(H,30,31)