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

Systemtic Name: 2-[(5-azanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethanone Openeye Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethanone CAS Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-fluorophenyl)ethanone IUPAC Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-fluorophenyl)ethanone Traditional Name: 2-[(5-amino-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(4-fluorophenyl)ethanone Formula: C16H13FN4OS MolecularWeight: 328.364023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)F)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)F)N

InChI

InChI=1S/C16H13FN4OS/c17-12-8-6-11(7-9-12)14(22)10-23-16-20-19-15(18)21(16)13-4-2-1-3-5-13/h1-9H,10H2,(H2,18,19)