7-[[4-chloranyl-2-methyl-3-(trifluoromethyl)-1H-pyrazol-2-ium-5-yl]carbonylamino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[4-chloranyl-2-methyl-3-(trifluoromethyl)-1H-pyrazol-2-ium-5-yl]carbonylamino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[4-chloro-2-methyl-3-(trifluoromethyl)-1H-pyrazol-2-ium-5-carbonyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[[4-chloro-2-methyl-3-(trifluoromethyl)-1H-pyrazol-2-ium-5-yl]-oxomethyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[4-chloro-2-methyl-3-(trifluoromethyl)-1H-pyrazol-2-ium-5-carbonyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[4-chloro-2-methyl-3-(trifluoromethyl)-1H-pyrazol-2-ium-5-carbonyl]amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H15ClF3N6O4S3+ MolecularWeight: 555.98201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C4=C(C(=[N+](N4)C)C(F)(F)F)Cl)SC2)C(=O)O

Isomeric SMILES

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)C4=C(C(=[N+](N4)C)C(F)(F)F)Cl)SC2)C(=O)O

InChI

InChI=1S/C17H14ClF3N6O4S3/c1-5-23-24-16(34-5)33-4-6-3-32-14-9(13(29)27(14)10(6)15(30)31)22-12(28)8-7(18)11(17(19,20)21)26(2)25-8/h9,14H,3-4H2,1-2H3,(H2,22,28,30,31)/p+1