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

Systemtic Name: N-[[4-(3-chlorophenyl)-5-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-fluoranyl-benzamide Openeye Name: N-[[4-(3-chlorophenyl)-5-[2-(4-methoxyanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-fluoro-benzamide CAS Name: N-[[4-(3-chlorophenyl)-5-[[2-(4-methoxyanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide IUPAC Name: N-[[4-(3-chlorophenyl)-5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide Traditional Name: N-[[4-(3-chlorophenyl)-5-[[2-keto-2-(p-anisidino)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-fluoro-benzamide Formula: C25H21ClFN5O3S MolecularWeight: 525.982343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)CNC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)CNC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H21ClFN5O3S/c1-35-21-10-8-19(9-11-21)29-23(33)15-36-25-31-30-22(32(25)20-7-3-5-17(26)13-20)14-28-24(34)16-4-2-6-18(27)12-16/h2-13H,14-15H2,1H3,(H,28,34)(H,29,33)