4-[2-[[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[[5-tert-butyl-2-(4-fluorophenyl)-3-pyrazolyl]amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C22H22FN5O4S MolecularWeight: 471.504583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FN5O4S/c1-22(2,3)18-11-19(27(26-18)15-7-5-14(23)6-8-15)25-20(29)12-33-17-9-4-13(21(24)30)10-16(17)28(31)32/h4-11H,12H2,1-3H3,(H2,24,30)(H,25,29)