5-nitro-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]benzenecarbonitrile

Systemtic Name: 5-nitro-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]benzenecarbonitrile Openeye Name: 5-nitro-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]benzonitrile CAS Name: 5-nitro-2-[(5-phenyl-1H-imidazol-2-yl)thio]benzonitrile IUPAC Name: 5-nitro-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]benzonitrile Traditional Name: 5-nitro-2-[(5-phenyl-1H-imidazol-2-yl)thio]benzonitrile Formula: C16H10N4O2S MolecularWeight: 322.3412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N2)SC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H10N4O2S/c17-9-12-8-13(20(21)22)6-7-15(12)23-16-18-10-14(19-16)11-4-2-1-3-5-11/h1-8,10H,(H,18,19)