N-(2-methylsulfanylphenyl)-4-(4-nitropyrazol-1-yl)butanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-4-(4-nitropyrazol-1-yl)butanamide Openeye Name: N-(2-methylsulfanylphenyl)-4-(4-nitropyrazol-1-yl)butanamide CAS Name: N-[2-(methylthio)phenyl]-4-(4-nitro-1-pyrazolyl)butanamide IUPAC Name: N-(2-methylsulfanylphenyl)-4-(4-nitropyrazol-1-yl)butanamide Traditional Name: N-[2-(methylthio)phenyl]-4-(4-nitropyrazol-1-yl)butyramide Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CCCN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CCCN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O3S/c1-22-13-6-3-2-5-12(13)16-14(19)7-4-8-17-10-11(9-15-17)18(20)21/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,16,19)