3-fluoranyl-N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]benzamide

Systemtic Name: 3-fluoranyl-N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]benzamide Openeye Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-3-fluoro-benzamide CAS Name: 3-fluoro-N-[3-(phenylmethylthio)-1H-1,2,4-triazol-5-yl]benzamide IUPAC Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-3-fluorobenzamide Traditional Name: N-[3-(benzylthio)-1H-1,2,4-triazol-5-yl]-3-fluoro-benzamide Formula: C16H13FN4OS MolecularWeight: 328.364023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=N2)NC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=N2)NC(=O)C3=CC(=CC=C3)F

InChI

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