N-[1-[5-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-fluoranyl-benzamide

Systemtic Name: N-[1-[5-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-fluoranyl-benzamide Openeye Name: N-[1-[5-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-fluoro-benzamide CAS Name: N-[1-[5-[[2-(4-ethylanilino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide IUPAC Name: N-[1-[5-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzamide Traditional Name: N-[1-[5-[[2-(4-ethylanilino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-fluoro-benzamide Formula: C22H24FN5O2S MolecularWeight: 441.521663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C(C)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C(C)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C22H24FN5O2S/c1-4-15-9-11-16(12-10-15)25-19(29)13-31-22-27-26-20(28(22)3)14(2)24-21(30)17-7-5-6-8-18(17)23/h5-12,14H,4,13H2,1-3H3,(H,24,30)(H,25,29)