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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethyl-4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butyramide Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NC2=NC3=CC=CC=C3S2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NC2=NC3=CC=CC=C3S2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O3S/c1-10-15(21(23)24)11(2)20(19-10)9-5-8-14(22)18-16-17-12-6-3-4-7-13(12)25-16/h3-4,6-7H,5,8-9H2,1-2H3,(H,17,18,22)