2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-fluorophenyl)ethanamide Openeye Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-fluorophenyl)acetamide CAS Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-fluorophenyl)acetamide Traditional Name: 2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-N-(4-fluorophenyl)acetamide Formula: C18H18FN5OS MolecularWeight: 371.431823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NN=C(N2CC(=O)NC3=CC=C(C=C3)F)N

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NN=C(N2CC(=O)NC3=CC=C(C=C3)F)N

InChI

InChI=1S/C18H18FN5OS/c19-14-6-8-15(9-7-14)21-16(25)12-24-17(20)22-23-18(24)26-11-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,20,22)(H,21,25)