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

Systemtic Name: 2-[(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)-thiophen-2-yl-methyl]propanedinitrile Openeye Name: 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-(2-thienyl)methyl]propanedinitrile CAS Name: 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-thiophen-2-ylmethyl]propanedinitrile IUPAC Name: 2-[(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-thiophen-2-ylmethyl]propanedinitrile Traditional Name: 2-[(3-keto-5-methyl-2-pyrazolin-4-yl)-(2-thienyl)methyl]malononitrile Formula: C12H10N4OS MolecularWeight: 258.299

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C1C(C2=CC=CS2)C(C#N)C#N

Isomeric SMILES

CC1=NNC(=O)C1C(C2=CC=CS2)C(C#N)C#N

InChI

InChI=1S/C12H10N4OS/c1-7-10(12(17)16-15-7)11(8(5-13)6-14)9-3-2-4-18-9/h2-4,8,10-11H,1H3,(H,16,17)