1-[(4-fluorophenyl)amino]-3-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one

Systemtic Name: 1-[(4-fluorophenyl)amino]-3-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Openeye Name: 1-(4-fluoroanilino)-3-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-(4-fluoroanilino)-3-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-(4-fluoroanilino)-3-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-one Traditional Name: 1-(4-fluoroanilino)-3-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C22H18FN5OS MolecularWeight: 419.474623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)CNC3=CC=C(C=C3)F)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)CNC3=CC=C(C=C3)F)C4=CN=CC=C4

InChI

InChI=1S/C22H18FN5OS/c23-17-8-10-18(11-9-17)25-14-20(29)15-30-22-27-26-21(16-5-4-12-24-13-16)28(22)19-6-2-1-3-7-19/h1-13,25H,14-15H2