5-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-methylsulfanyl-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-methylsulfanyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-(5-bromo-1,3-dioxo-isoindolin-2-yl)-3-methylsulfanyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-(5-bromo-1,3-dioxo-2-isoindolyl)-3-(methylthio)-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-(5-bromo-1,3-dioxoisoindol-2-yl)-3-methylsulfanyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-(5-bromo-1,3-diketo-isoindolin-2-yl)-3-(methylthio)-1-phenyl-pyrazole-4-carbonitrile Formula: C19H11BrN4O2S MolecularWeight: 439.28524

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=C1C#N)N2C(=O)C3=C(C2=O)C=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CSC1=NN(C(=C1C#N)N2C(=O)C3=C(C2=O)C=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C19H11BrN4O2S/c1-27-16-15(10-21)17(24(22-16)12-5-3-2-4-6-12)23-18(25)13-8-7-11(20)9-14(13)19(23)26/h2-9H,1H3