1-[(3E)-6-bromanyl-5-chloranyl-3-(1,2-dihydropyrazol-3-ylidene)indol-2-yl]-2-methylsulfonyl-ethanone

Systemtic Name: 1-[(3E)-6-bromanyl-5-chloranyl-3-(1,2-dihydropyrazol-3-ylidene)indol-2-yl]-2-methylsulfonyl-ethanone Openeye Name: 1-[(3E)-6-bromo-5-chloro-3-(1,2-dihydropyrazol-3-ylidene)indol-2-yl]-2-methylsulfonyl-ethanone CAS Name: 1-[(3E)-6-bromo-5-chloro-3-(1,2-dihydropyrazol-3-ylidene)-2-indolyl]-2-methylsulfonylethanone IUPAC Name: 1-[(3E)-6-bromo-5-chloro-3-(1,2-dihydropyrazol-3-ylidene)indol-2-yl]-2-methylsulfonylethanone Traditional Name: 1-[(3E)-6-bromo-5-chloro-3-(3-pyrazolin-3-ylidene)indol-2-yl]-2-mesyl-ethanone Formula: C14H11BrClN3O3S MolecularWeight: 416.67744

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(=O)C1=NC2=CC(=C(C=C2C1=C3C=CNN3)Cl)Br

Isomeric SMILES

CS(=O)(=O)CC(=O)C\1=NC2=CC(=C(C=C2/C1=C\3/C=CNN3)Cl)Br

InChI

InChI=1S/C14H11BrClN3O3S/c1-23(21,22)6-12(20)14-13(10-2-3-17-19-10)7-4-9(16)8(15)5-11(7)18-14/h2-5,17,19H,6H2,1H3/b13-10+