5-nitro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzenecarbonitrile

Systemtic Name: 5-nitro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzenecarbonitrile Openeye Name: 5-nitro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzonitrile CAS Name: 5-nitro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)benzonitrile IUPAC Name: 5-nitro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzonitrile Traditional Name: 5-nitro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)benzonitrile Formula: C13H7N5O2S MolecularWeight: 297.29198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NN=C(N2C=C1)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC2=NN=C(N2C=C1)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H7N5O2S/c14-8-9-7-10(18(19)20)4-5-11(9)21-13-16-15-12-3-1-2-6-17(12)13/h1-7H