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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-fluoranyl-4-methyl-phenyl)methyl]ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-fluoro-4-methyl-phenyl)methyl]acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(3-fluoro-4-methyl-benzyl)acetamide Formula: C12H14FN5OS MolecularWeight: 295.335863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)CSC2=NNC(=N2)N)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)CSC2=NNC(=N2)N)F

InChI

InChI=1S/C12H14FN5OS/c1-7-2-3-8(4-9(7)13)5-15-10(19)6-20-12-16-11(14)17-18-12/h2-4H,5-6H2,1H3,(H,15,19)(H3,14,16,17,18)