7-[(4-bromanyl-2,5-dimethyl-pyrazol-3-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-bromanyl-2,5-dimethyl-pyrazol-3-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-bromo-2,5-dimethyl-pyrazole-3-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-bromo-2,5-dimethyl-3-pyrazolyl)-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-bromo-2,5-dimethylpyrazole-3-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-bromo-2,5-dimethyl-pyrazole-3-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: C17H17BrN6O4S3 MolecularWeight: 545.45368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Br)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O)C

Isomeric SMILES

CC1=NN(C(=C1Br)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O)C

InChI

InChI=1S/C17H17BrN6O4S3/c1-6-9(18)12(23(3)22-6)13(25)19-10-14(26)24-11(16(27)28)8(4-29-15(10)24)5-30-17-21-20-7(2)31-17/h10,15H,4-5H2,1-3H3,(H,19,25)(H,27,28)