N-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[2-(1,3-dimethylbutyl)pyrazol-3-yl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[2-(4-methylpentan-2-yl)-3-pyrazolyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[2-(4-methylpentan-2-yl)pyrazol-3-yl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[2-(1,3-dimethylbutyl)pyrazol-3-yl]-2-[(4-nitrophenyl)thio]acetamide Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)N1C(=CC=N1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C)N1C(=CC=N1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O3S/c1-12(2)10-13(3)20-16(8-9-18-20)19-17(22)11-25-15-6-4-14(5-7-15)21(23)24/h4-9,12-13H,10-11H2,1-3H3,(H,19,22)