N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)ethanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)ethanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitropyrazol-1-yl)acetamide Formula: C13H11N5O3S MolecularWeight: 317.32314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C=CC(=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C=CC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O3S/c1-8-2-3-9-10(6-8)22-13(14-9)15-12(19)7-17-5-4-11(16-17)18(20)21/h2-6H,7H2,1H3,(H,14,15,19)