3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5-thiophen-2-yl-1,2-oxazole

Systemtic Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5-(2-thienyl)isoxazole CAS Name: 3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-5-(2-thienyl)isoxazole Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=NOC(=C2)C3=CC=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=NOC(=C2)C3=CC=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O3S/c1-8-13(17(18)19)9(2)16(14-8)7-10-6-11(20-15-10)12-4-3-5-21-12/h3-6H,7H2,1-2H3