2-[5-azanyl-3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-1-yl]-1-phenyl-ethanone

Systemtic Name: 2-[5-azanyl-3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-1-yl]-1-phenyl-ethanone Openeye Name: 2-[5-amino-3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-1-yl]-1-phenyl-ethanone CAS Name: 2-[5-amino-3-[(4-fluorophenyl)methylthio]-1,2,4-triazol-1-yl]-1-phenylethanone IUPAC Name: 2-[5-amino-3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-1-yl]-1-phenylethanone Traditional Name: 2-[5-amino-3-[(4-fluorobenzyl)thio]-1,2,4-triazol-1-yl]-1-phenyl-ethanone Formula: C17H15FN4OS MolecularWeight: 342.390603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CN2C(=NC(=N2)SCC3=CC=C(C=C3)F)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CN2C(=NC(=N2)SCC3=CC=C(C=C3)F)N

InChI

InChI=1S/C17H15FN4OS/c18-14-8-6-12(7-9-14)11-24-17-20-16(19)22(21-17)10-15(23)13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,19,20,21)