N-(1,3-benzothiazol-2-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=NC3=CC=CC=C3S2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=NC3=CC=CC=C3S2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O3S/c1-8-13(19(21)22)9(2)18(17-8)7-12(20)16-14-15-10-5-3-4-6-11(10)23-14/h3-6H,7H2,1-2H3,(H,15,16,20)