N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-N-methyl-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-2-[(4-nitrophenyl)thio]acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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