2-[[5-[[(4-fluorophenyl)amino]methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone

Systemtic Name: 2-[[5-[[(4-fluorophenyl)amino]methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[[4-benzyl-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[[5-[(4-fluoroanilino)methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[[4-benzyl-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[[4-benzyl-5-[(4-fluoroanilino)methyl]-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone Formula: C25H23FN4O2S MolecularWeight: 462.539123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)CNC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)CNC4=CC=C(C=C4)F

InChI

InChI=1S/C25H23FN4O2S/c1-32-22-13-7-19(8-14-22)23(31)17-33-25-29-28-24(15-27-21-11-9-20(26)10-12-21)30(25)16-18-5-3-2-4-6-18/h2-14,27H,15-17H2,1H3