(2R)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: (2R)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: (2R)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-(4-methylthiazol-2-yl)-3-oxo-butanenitrile CAS Name: (2R)-4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-(4-methyl-2-thiazolyl)-3-oxobutanenitrile IUPAC Name: (2R)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile Traditional Name: (2R)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-3-keto-2-(4-methylthiazol-2-yl)butyronitrile Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C13H13N5O3S/c1-7-6-22-13(15-7)10(4-14)11(19)5-17-9(3)12(18(20)21)8(2)16-17/h6,10H,5H2,1-3H3/t10-/m1/s1