3-[2-(4-dodecylsulfonylphenyl)-2-oxidanylidene-ethyl]-4-nitro-1,2-thiazole-5-carbonitrile

Systemtic Name: 3-[2-(4-dodecylsulfonylphenyl)-2-oxidanylidene-ethyl]-4-nitro-1,2-thiazole-5-carbonitrile Openeye Name: 3-[2-(4-dodecylsulfonylphenyl)-2-oxo-ethyl]-4-nitro-isothiazole-5-carbonitrile CAS Name: 3-[2-(4-dodecylsulfonylphenyl)-2-oxoethyl]-4-nitro-5-isothiazolecarbonitrile IUPAC Name: 3-[2-(4-dodecylsulfonylphenyl)-2-oxoethyl]-4-nitro-1,2-thiazole-5-carbonitrile Traditional Name: 3-[2-keto-2-(4-laurylsulfonylphenyl)ethyl]-4-nitro-isothiazole-5-carbonitrile Formula: C24H31N3O5S2 MolecularWeight: 505.65004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)C(=O)CC2=NSC(=C2[N+](=O)[O-])C#N

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)C(=O)CC2=NSC(=C2[N+](=O)[O-])C#N

InChI

InChI=1S/C24H31N3O5S2/c1-2-3-4-5-6-7-8-9-10-11-16-34(31,32)20-14-12-19(13-15-20)22(28)17-21-24(27(29)30)23(18-25)33-26-21/h12-15H,2-11,16-17H2,1H3