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

Systemtic Name: 5-nitro-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzenecarbonitrile Openeye Name: 5-nitro-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzonitrile CAS Name: 5-nitro-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]benzonitrile IUPAC Name: 5-nitro-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]benzonitrile Traditional Name: 5-nitro-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]benzonitrile Formula: C15H9N5O2S MolecularWeight: 323.32926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H9N5O2S/c16-9-11-8-12(20(21)22)6-7-13(11)23-15-17-14(18-19-15)10-4-2-1-3-5-10/h1-8H,(H,17,18,19)