N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H20N4O3S/c1-12-10-13(2)19(18-12)9-3-8-17-16(21)11-24-15-6-4-14(5-7-15)20(22)23/h4-7,10H,3,8-9,11H2,1-2H3,(H,17,21)