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

Systemtic Name: 5-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-ethylsulfanyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-(5-bromo-1,3-dioxo-isoindolin-2-yl)-3-ethylsulfanyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-(5-bromo-1,3-dioxo-2-isoindolyl)-3-(ethylthio)-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-(5-bromo-1,3-dioxoisoindol-2-yl)-3-ethylsulfanyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-(5-bromo-1,3-diketo-isoindolin-2-yl)-3-(ethylthio)-1-phenyl-pyrazole-4-carbonitrile Formula: C20H13BrN4O2S MolecularWeight: 453.31182

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN(C(=C1C#N)N2C(=O)C3=C(C2=O)C=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CCSC1=NN(C(=C1C#N)N2C(=O)C3=C(C2=O)C=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C20H13BrN4O2S/c1-2-28-17-16(11-22)18(25(23-17)13-6-4-3-5-7-13)24-19(26)14-9-8-12(21)10-15(14)20(24)27/h3-10H,2H2,1H3