2-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(5-nitrothiophen-2-yl)methyl]propanedinitrile

Systemtic Name: 2-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(5-nitrothiophen-2-yl)methyl]propanedinitrile Openeye Name: 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(5-nitro-2-thienyl)methyl]propanedinitrile CAS Name: 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(5-nitro-2-thiophenyl)methyl]propanedinitrile IUPAC Name: 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(5-nitrothiophen-2-yl)methyl]propanedinitrile Traditional Name: 2-[(3-keto-5-methyl-3-pyrazolin-4-yl)-(5-nitro-2-thienyl)methyl]malononitrile Formula: C12H9N5O3S MolecularWeight: 303.29656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CC=C(S2)[N+](=O)[O-])C(C#N)C#N

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CC=C(S2)[N+](=O)[O-])C(C#N)C#N

InChI

InChI=1S/C12H9N5O3S/c1-6-10(12(18)16-15-6)11(7(4-13)5-14)8-2-3-9(21-8)17(19)20/h2-3,7,11H,1H3,(H2,15,16,18)