5-(4-methylphenyl)sulfonyl-4-nitro-thiophene-2-carbonitrile

Systemtic Name: 5-(4-methylphenyl)sulfonyl-4-nitro-thiophene-2-carbonitrile Openeye Name: 4-nitro-5-(p-tolylsulfonyl)thiophene-2-carbonitrile CAS Name: 5-(4-methylphenyl)sulfonyl-4-nitro-2-thiophenecarbonitrile IUPAC Name: 5-(4-methylphenyl)sulfonyl-4-nitrothiophene-2-carbonitrile Traditional Name: 4-nitro-5-tosyl-thiophene-2-carbonitrile Formula: C12H8N2O4S2 MolecularWeight: 308.33292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(S2)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(S2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C12H8N2O4S2/c1-8-2-4-10(5-3-8)20(17,18)12-11(14(15)16)6-9(7-13)19-12/h2-6H,1H3