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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C

InChI

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