5-nitro-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenecarbonitrile Openeye Name: 5-nitro-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]benzonitrile CAS Name: 5-nitro-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]benzonitrile IUPAC Name: 5-nitro-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]benzonitrile Traditional Name: 5-nitro-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]benzonitrile Formula: C14H8N6O2S MolecularWeight: 324.31732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C#N)SC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C#N)SC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C14H8N6O2S/c15-8-10-7-11(20(21)22)1-2-12(10)23-14-17-13(18-19-14)9-3-5-16-6-4-9/h1-7H,(H,17,18,19)