6-bromanyl-N-[[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]carbamothioyl]-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: 6-bromanyl-N-[[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]carbamothioyl]-2-oxidanylidene-chromene-3-carboxamide Openeye Name: 6-bromo-N-[[[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]carbamothioyl]-2-oxo-chromene-3-carboxamide CAS Name: 6-bromo-N-[[[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: 6-bromo-N-[[[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]carbamothioyl]-2-oxochromene-3-carboxamide Traditional Name: 6-bromo-2-keto-N-[[[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]thiocarbamoyl]chromene-3-carboxamide Formula: C22H17BrN6O4S2 MolecularWeight: 573.44218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NNC(=S)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NNC(=S)NC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C22H17BrN6O4S2/c1-12-25-28-22(29(12)15-5-3-2-4-6-15)35-11-18(30)26-27-21(34)24-19(31)16-10-13-9-14(23)7-8-17(13)33-20(16)32/h2-10H,11H2,1H3,(H,26,30)(H2,24,27,31,34)