4-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[4-(4-fluorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[4-(4-fluorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-N-phenyl-benzamide Formula: C27H20FN5OS MolecularWeight: 481.544003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(N3C4=CC=C(C=C4)F)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(N3C4=CC=C(C=C4)F)C5=CC=NC=C5

InChI

InChI=1S/C27H20FN5OS/c28-22-10-12-24(13-11-22)33-25(20-14-16-29-17-15-20)31-32-27(33)35-18-19-6-8-21(9-7-19)26(34)30-23-4-2-1-3-5-23/h1-17H,18H2,(H,30,34)