3-(3-quinolin-6-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzenecarbonitrile

Systemtic Name: 3-(3-quinolin-6-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzenecarbonitrile Openeye Name: 3-[3-(6-quinolylsulfanyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile CAS Name: 3-[3-(6-quinolinylthio)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile IUPAC Name: 3-(3-quinolin-6-ylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)benzonitrile Traditional Name: 3-[3-(6-quinolylthio)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile Formula: C21H12N6S MolecularWeight: 380.42518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=NN3C(=NN=C3SC4=CC5=C(C=C4)N=CC=C5)C=C2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=NN3C(=NN=C3SC4=CC5=C(C=C4)N=CC=C5)C=C2)C#N

InChI

InChI=1S/C21H12N6S/c22-13-14-3-1-4-15(11-14)19-8-9-20-24-25-21(27(20)26-19)28-17-6-7-18-16(12-17)5-2-10-23-18/h1-12H