3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)sulfonyl-pyrazole

Systemtic Name: 3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)sulfonyl-pyrazole Openeye Name: 3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)sulfonyl-pyrazole CAS Name: 3,5-dimethyl-4-[(2-nitrophenyl)thio]-1-(2,4,6-trimethylphenyl)sulfonylpyrazole IUPAC Name: 3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole Traditional Name: 1-mesitylsulfonyl-3,5-dimethyl-4-[(2-nitrophenyl)thio]pyrazole Formula: C20H21N3O4S2 MolecularWeight: 431.52844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C(=C(C(=N2)C)SC3=CC=CC=C3[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C(=C(C(=N2)C)SC3=CC=CC=C3[N+](=O)[O-])C)C

InChI

InChI=1S/C20H21N3O4S2/c1-12-10-13(2)20(14(3)11-12)29(26,27)22-16(5)19(15(4)21-22)28-18-9-7-6-8-17(18)23(24)25/h6-11H,1-5H3