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

Systemtic Name: 5-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-ethylsulfanyl-1H-pyrazole-4-carbonitrile Openeye Name: 5-(5-bromo-1,3-dioxo-isoindolin-2-yl)-3-ethylsulfanyl-1H-pyrazole-4-carbonitrile CAS Name: 5-(5-bromo-1,3-dioxo-2-isoindolyl)-3-(ethylthio)-1H-pyrazole-4-carbonitrile IUPAC Name: 5-(5-bromo-1,3-dioxoisoindol-2-yl)-3-ethylsulfanyl-1H-pyrazole-4-carbonitrile Traditional Name: 5-(5-bromo-1,3-diketo-isoindolin-2-yl)-3-(ethylthio)-1H-pyrazole-4-carbonitrile Formula: C14H9BrN4O2S MolecularWeight: 377.21586

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NNC(=C1C#N)N2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCSC1=NNC(=C1C#N)N2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C14H9BrN4O2S/c1-2-22-12-10(6-16)11(17-18-12)19-13(20)8-4-3-7(15)5-9(8)14(19)21/h3-5H,2H2,1H3,(H,17,18)