4-tert-butyl-N-[[5-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[5-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-tert-butyl-N-[[5-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-tert-butyl-N-[[5-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-tert-butyl-N-[[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-tert-butyl-N-[[5-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C28H28FN5O2S MolecularWeight: 517.617623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C28H28FN5O2S/c1-28(2,3)20-11-9-19(10-12-20)26(36)30-17-24-32-33-27(34(24)23-7-5-4-6-8-23)37-18-25(35)31-22-15-13-21(29)14-16-22/h4-16H,17-18H2,1-3H3,(H,30,36)(H,31,35)