8-oxidanylidene-3-(2-pyrazin-2-ylethylsulfanyl)acenaphthyleno[1,2-b]pyrrole-9-carbonitrile

Systemtic Name: 8-oxidanylidene-3-(2-pyrazin-2-ylethylsulfanyl)acenaphthyleno[1,2-b]pyrrole-9-carbonitrile Openeye Name: 8-oxo-3-(2-pyrazin-2-ylethylsulfanyl)acenaphthyleno[1,2-b]pyrrole-9-carbonitrile CAS Name: 8-oxo-3-[2-(2-pyrazinyl)ethylthio]-9-acenaphthyleno[1,2-b]pyrrolecarbonitrile IUPAC Name: 8-oxo-3-(2-pyrazin-2-ylethylsulfanyl)acenaphthyleno[1,2-b]pyrrole-9-carbonitrile Traditional Name: 8-keto-3-(2-pyrazin-2-ylethylthio)acenaphtho[1,2-b]pyrrole-9-carbonitrile Formula: C21H12N4OS MolecularWeight: 368.41118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C(=C1)C4=NC(=O)C(=C34)C#N)SCCC5=NC=CN=C5

Isomeric SMILES

C1=CC2=C(C=CC3=C2C(=C1)C4=NC(=O)C(=C34)C#N)SCCC5=NC=CN=C5

InChI

InChI=1S/C21H12N4OS/c22-10-16-19-14-4-5-17(27-9-6-12-11-23-7-8-24-12)13-2-1-3-15(18(13)14)20(19)25-21(16)26/h1-5,7-8,11H,6,9H2