2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-(4,5-dimethyloxazol-2-yl)sulfanyl-5-nitro-benzonitrile CAS Name: 2-[(4,5-dimethyl-2-oxazolyl)thio]-5-nitrobenzonitrile IUPAC Name: 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[(4,5-dimethyloxazol-2-yl)thio]-5-nitro-benzonitrile Formula: C12H9N3O3S MolecularWeight: 275.28316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=C(OC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C12H9N3O3S/c1-7-8(2)18-12(14-7)19-11-4-3-10(15(16)17)5-9(11)6-13/h3-5H,1-2H3