N-(2-acetamido-1,3-benzothiazol-6-yl)-1-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-(2-acetamido-1,3-benzothiazol-6-yl)-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-(2-acetamido-1,3-benzothiazol-6-yl)-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-(2-acetamido-1,3-benzothiazol-6-yl)-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-(2-acetamido-1,3-benzothiazol-6-yl)-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-(2-acetamido-1,3-benzothiazol-6-yl)-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C14H12N6O4S MolecularWeight: 360.34788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C

Isomeric SMILES

CC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C

InChI

InChI=1S/C14H12N6O4S/c1-7(21)15-14-17-9-4-3-8(5-11(9)25-14)16-13(22)12-10(20(23)24)6-19(2)18-12/h3-6H,1-2H3,(H,16,22)(H,15,17,21)