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

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propanamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methylpropanamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropanamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propionamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O3S/c1-13(12-25-15(3)20(26(28)29)14(2)24-25)21(27)23-18-6-4-5-7-19(18)30-17-10-8-16(22)9-11-17/h4-11,13H,12H2,1-3H3,(H,23,27)