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

Systemtic Name: 5-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-1-phenyl-3-(phenylmethylsulfanyl)pyrazole-4-carbonitrile Openeye Name: 3-benzylsulfanyl-5-(1,3-dioxobenzo[de]isoquinolin-2-yl)-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-(1,3-dioxo-2-benzo[de]isoquinolinyl)-1-phenyl-3-(phenylmethylthio)-4-pyrazolecarbonitrile IUPAC Name: 3-benzylsulfanyl-5-(1,3-dioxobenzo[de]isoquinolin-2-yl)-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-(benzylthio)-5-(1,3-diketobenzo[de]isoquinolin-2-yl)-1-phenyl-pyrazole-4-carbonitrile Formula: C29H18N4O2S MolecularWeight: 486.54382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN(C(=C2C#N)N3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(C(=C2C#N)N3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=CC=C6

InChI

InChI=1S/C29H18N4O2S/c30-17-24-26(36-18-19-9-3-1-4-10-19)31-33(21-13-5-2-6-14-21)27(24)32-28(34)22-15-7-11-20-12-8-16-23(25(20)22)29(32)35/h1-16H,18H2