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

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methyl-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methyl-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(3-methyl-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-2-(3-methyl-4-nitro-pyrazol-1-yl)propionamide Formula: C19H17ClN4O3S MolecularWeight: 416.88128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1[N+](=O)[O-])C(C)C(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NN(C=C1[N+](=O)[O-])C(C)C(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H17ClN4O3S/c1-12-17(24(26)27)11-23(22-12)13(2)19(25)21-16-5-3-4-6-18(16)28-15-9-7-14(20)8-10-15/h3-11,13H,1-2H3,(H,21,25)