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

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-N-(2-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]-N-(2-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CSC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C20H20N4O3S/c1-13-17(10-7-11-18(13)24(26)27)21-19(25)12-28-20-14(2)22-23(15(20)3)16-8-5-4-6-9-16/h4-11H,12H2,1-3H3,(H,21,25)