3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-phenyl-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-phenyl-1H-1,2,4-triazol-5-amine Openeye Name: 3-[(5-methylisoxazol-3-yl)methylsulfanyl]-N-phenyl-1H-1,2,4-triazol-5-amine CAS Name: 3-[(5-methyl-3-isoxazolyl)methylthio]-N-phenyl-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-phenyl-1H-1,2,4-triazol-5-amine Traditional Name: [3-[(5-methylisoxazol-3-yl)methylthio]-1H-1,2,4-triazol-5-yl]-phenyl-amine Formula: C13H13N5OS MolecularWeight: 287.34022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=NNC(=N2)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)CSC2=NNC(=N2)NC3=CC=CC=C3

InChI

InChI=1S/C13H13N5OS/c1-9-7-11(18-19-9)8-20-13-15-12(16-17-13)14-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,14,15,16,17)