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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl)C)[N+](=O)[O-]

InChI

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