2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-5-nitro-benzenecarbonitrile Openeye Name: 2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanyl-5-nitro-benzonitrile CAS Name: 2-[(1-methyl-5-phenyl-2-imidazolyl)thio]-5-nitrobenzonitrile IUPAC Name: 2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-5-nitrobenzonitrile Traditional Name: 2-[(1-methyl-5-phenyl-imidazol-2-yl)thio]-5-nitro-benzonitrile Formula: C17H12N4O2S MolecularWeight: 336.36778

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CC=CC=C3

Isomeric SMILES

CN1C(=CN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CC=CC=C3

InChI

InChI=1S/C17H12N4O2S/c1-20-15(12-5-3-2-4-6-12)11-19-17(20)24-16-8-7-14(21(22)23)9-13(16)10-18/h2-9,11H,1H3