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

Systemtic Name: N-butan-2-yl-4-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[4-(4-fluorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-4-[[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: N-butan-2-yl-4-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[4-(4-fluorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-N-sec-butyl-benzamide Formula: C25H24FN5OS MolecularWeight: 461.554363

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=NC=C4

Isomeric SMILES

CCC(C)NC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=NC=C4

InChI

InChI=1S/C25H24FN5OS/c1-3-17(2)28-24(32)20-6-4-18(5-7-20)16-33-25-30-29-23(19-12-14-27-15-13-19)31(25)22-10-8-21(26)9-11-22/h4-15,17H,3,16H2,1-2H3,(H,28,32)