N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-(4,5-dimethylthiazol-2-yl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-(4,5-dimethyl-2-thiazolyl)-2-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-(4,5-dimethylthiazol-2-yl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C13H17N5O3S MolecularWeight: 323.37078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=C(S1)C)C)N2C(=CC(=N2)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C)C)N2C(=CC(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C13H17N5O3S/c1-5-10(17-7(2)6-11(16-17)18(20)21)12(19)15-13-14-8(3)9(4)22-13/h6,10H,5H2,1-4H3,(H,14,15,19)