3-nitro-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzenecarbonitrile Openeye Name: 3-nitro-4-(1-phenyltetrazol-5-yl)sulfanyl-benzonitrile CAS Name: 3-nitro-4-[(1-phenyl-5-tetrazolyl)thio]benzonitrile IUPAC Name: 3-nitro-4-(1-phenyltetrazol-5-yl)sulfanylbenzonitrile Traditional Name: 3-nitro-4-[(1-phenyltetrazol-5-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)N2C(=NN=N2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

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