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

Systemtic Name: 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-(4,5-dimethyloxazol-2-yl)sulfanyl-3-nitro-benzonitrile CAS Name: 4-[(4,5-dimethyl-2-oxazolyl)thio]-3-nitrobenzonitrile IUPAC Name: 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-nitrobenzonitrile Traditional Name: 4-[(4,5-dimethyloxazol-2-yl)thio]-3-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)C#N)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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