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

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1,3-benzothiazole Openeye Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1,3-benzothiazole CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3-benzothiazole Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1,3-benzothiazole Formula: C13H12N4O2S MolecularWeight: 288.32498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=NC3=CC=CC=C3S2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=NC3=CC=CC=C3S2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O2S/c1-8-13(17(18)19)9(2)16(15-8)7-12-14-10-5-3-4-6-11(10)20-12/h3-6H,7H2,1-2H3