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

Systemtic Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide Openeye Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-thienylmethyl)butanamide CAS Name: 4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(thiophen-2-ylmethyl)butanamide IUPAC Name: 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(thiophen-2-ylmethyl)butanamide Traditional Name: 4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-thenyl)butyramide Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NCC2=CC=CS2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NCC2=CC=CS2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O3S/c1-10-14(18(20)21)11(2)17(16-10)7-3-6-13(19)15-9-12-5-4-8-22-12/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,19)