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

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]ethanamide Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[4-[(2,5-dimethylphenyl)thio]phenyl]acetamide IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-[4-[(2,5-dimethylphenyl)thio]phenyl]acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O3S/c1-13-5-6-14(2)19(11-13)29-18-9-7-17(8-10-18)22-20(26)12-24-16(4)21(25(27)28)15(3)23-24/h5-11H,12H2,1-4H3,(H,22,26)