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

Systemtic Name: 5-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-(phenylmethylsulfanyl)-1H-pyrazole-4-carbonitrile Openeye Name: 3-benzylsulfanyl-5-(5-bromo-1,3-dioxo-isoindolin-2-yl)-1H-pyrazole-4-carbonitrile CAS Name: 5-(5-bromo-1,3-dioxo-2-isoindolyl)-3-(phenylmethylthio)-1H-pyrazole-4-carbonitrile IUPAC Name: 3-benzylsulfanyl-5-(5-bromo-1,3-dioxoisoindol-2-yl)-1H-pyrazole-4-carbonitrile Traditional Name: 3-(benzylthio)-5-(5-bromo-1,3-diketo-isoindolin-2-yl)-1H-pyrazole-4-carbonitrile Formula: C19H11BrN4O2S MolecularWeight: 439.28524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)N3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)N3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C19H11BrN4O2S/c20-12-6-7-13-14(8-12)19(26)24(18(13)25)16-15(9-21)17(23-22-16)27-10-11-4-2-1-3-5-11/h1-8H,10H2,(H,22,23)