7-methyl-5-nitro-1,3-benzothiazole-2-carbonitrile

Systemtic Name: 7-methyl-5-nitro-1,3-benzothiazole-2-carbonitrile Openeye Name: 7-methyl-5-nitro-1,3-benzothiazole-2-carbonitrile CAS Name: 7-methyl-5-nitro-1,3-benzothiazole-2-carbonitrile IUPAC Name: 7-methyl-5-nitro-1,3-benzothiazole-2-carbonitrile Traditional Name: 7-methyl-5-nitro-1,3-benzothiazole-2-carbonitrile Formula: C9H5N3O2S MolecularWeight: 219.2199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1SC(=N2)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC2=C1SC(=N2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C9H5N3O2S/c1-5-2-6(12(13)14)3-7-9(5)15-8(4-10)11-7/h2-3H,1H3