5-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-3-(phenylmethylsulfanyl)-1H-pyrazole-4-carbonitrile

Systemtic Name: 5-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-3-(phenylmethylsulfanyl)-1H-pyrazole-4-carbonitrile Openeye Name: 3-benzylsulfanyl-5-(1,3-dioxobenzo[de]isoquinolin-2-yl)-1H-pyrazole-4-carbonitrile CAS Name: 5-(1,3-dioxo-2-benzo[de]isoquinolinyl)-3-(phenylmethylthio)-1H-pyrazole-4-carbonitrile IUPAC Name: 3-benzylsulfanyl-5-(1,3-dioxobenzo[de]isoquinolin-2-yl)-1H-pyrazole-4-carbonitrile Traditional Name: 3-(benzylthio)-5-(1,3-diketobenzo[de]isoquinolin-2-yl)-1H-pyrazole-4-carbonitrile Formula: C23H14N4O2S MolecularWeight: 410.44786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)N3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)N3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C23H14N4O2S/c24-12-18-20(25-26-21(18)30-13-14-6-2-1-3-7-14)27-22(28)16-10-4-8-15-9-5-11-17(19(15)16)23(27)29/h1-11H,13H2,(H,25,26)