N-(1,3-benzothiazol-2-yl)-2-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(4-nitropyrazol-1-yl)propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(4-nitropyrazol-1-yl)propionamide Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2S1)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=NC2=CC=CC=C2S1)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O3S/c1-8(17-7-9(6-14-17)18(20)21)12(19)16-13-15-10-4-2-3-5-11(10)22-13/h2-8H,1H3,(H,15,16,19)