2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]-2-phenyl-ethanamide

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]-2-phenyl-ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]-2-phenyl-acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(4-fluorobenzyl)-2-phenyl-acetamide Formula: C17H16FN5OS MolecularWeight: 357.405243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NCC2=CC=C(C=C2)F)SC3=NNC(=N3)N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NCC2=CC=C(C=C2)F)SC3=NNC(=N3)N

InChI

InChI=1S/C17H16FN5OS/c18-13-8-6-11(7-9-13)10-20-15(24)14(12-4-2-1-3-5-12)25-17-21-16(19)22-23-17/h1-9,14H,10H2,(H,20,24)(H3,19,21,22,23)