3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-N-(2-phenylsulfanylphenyl)propanamide

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-N-(2-phenylsulfanylphenyl)propanamide Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-N-(2-phenylsulfanylphenyl)propanamide CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methyl-N-[2-(phenylthio)phenyl]propanamide IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methyl-N-(2-phenylsulfanylphenyl)propanamide Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-N-[2-(phenylthio)phenyl]propionamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c1-14(13-24-16(3)20(25(27)28)15(2)23-24)21(26)22-18-11-7-8-12-19(18)29-17-9-5-4-6-10-17/h4-12,14H,13H2,1-3H3,(H,22,26)