N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-3-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-3-nitro-pyrazol-1-yl)butyramide Formula: C16H17N5O3S MolecularWeight: 359.40288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C16H17N5O3S/c1-4-12(20-10(3)8-14(19-20)21(23)24)15(22)18-16-17-11-6-5-9(2)7-13(11)25-16/h5-8,12H,4H2,1-3H3,(H,17,18,22)