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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)F

InChI

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