N-[1-[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2-methyl-benzamide

Systemtic Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2-methyl-benzamide Openeye Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2-methyl-benzamide CAS Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylthio]-1,2,4-triazol-3-yl]-2-phenylethyl]-2-methylbenzamide IUPAC Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-phenylethyl]-2-methylbenzamide Traditional Name: N-[1-[4-(2,4-dichlorophenyl)-5-[(4-fluorobenzyl)thio]-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2-methyl-benzamide Formula: C31H25Cl2FN4OS MolecularWeight: 591.525803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(CC2=CC=CC=C2)C3=NN=C(N3C4=C(C=C(C=C4)Cl)Cl)SCC5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(CC2=CC=CC=C2)C3=NN=C(N3C4=C(C=C(C=C4)Cl)Cl)SCC5=CC=C(C=C5)F

InChI

InChI=1S/C31H25Cl2FN4OS/c1-20-7-5-6-10-25(20)30(39)35-27(17-21-8-3-2-4-9-21)29-36-37-31(40-19-22-11-14-24(34)15-12-22)38(29)28-16-13-23(32)18-26(28)33/h2-16,18,27H,17,19H2,1H3,(H,35,39)