N-[2-(4-chlorophenyl)sulfanylphenyl]-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propanamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-methyl-3-(5-methyl-3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propionamide Formula: C20H19ClN4O3S MolecularWeight: 430.90786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(C)C(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC(C)C(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O3S/c1-13(12-24-14(2)11-19(23-24)25(27)28)20(26)22-17-5-3-4-6-18(17)29-16-9-7-15(21)8-10-16/h3-11,13H,12H2,1-2H3,(H,22,26)