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

Systemtic Name: 5-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-3-ethylsulfanyl-1H-pyrazole-4-carbonitrile Openeye Name: 5-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3-ethylsulfanyl-1H-pyrazole-4-carbonitrile CAS Name: 5-(1,3-dioxo-2-benzo[de]isoquinolinyl)-3-(ethylthio)-1H-pyrazole-4-carbonitrile IUPAC Name: 5-(1,3-dioxobenzo[de]isoquinolin-2-yl)-3-ethylsulfanyl-1H-pyrazole-4-carbonitrile Traditional Name: 5-(1,3-diketobenzo[de]isoquinolin-2-yl)-3-(ethylthio)-1H-pyrazole-4-carbonitrile Formula: C18H12N4O2S MolecularWeight: 348.37848

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NNC(=C1C#N)N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

CCSC1=NNC(=C1C#N)N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C18H12N4O2S/c1-2-25-16-13(9-19)15(20-21-16)22-17(23)11-7-3-5-10-6-4-8-12(14(10)11)18(22)24/h3-8H,2H2,1H3,(H,20,21)