1-(5-methylsulfanyl-3-phenyl-1,3-dihydro-1,2,4-triazol-2-yl)ethanone

Systemtic Name: 1-(5-methylsulfanyl-3-phenyl-1,3-dihydro-1,2,4-triazol-2-yl)ethanone Openeye Name: 1-(5-methylsulfanyl-3-phenyl-1,3-dihydro-1,2,4-triazol-2-yl)ethanone CAS Name: 1-[5-(methylthio)-3-phenyl-1,3-dihydro-1,2,4-triazol-2-yl]ethanone IUPAC Name: 1-(5-methylsulfanyl-3-phenyl-1,3-dihydro-1,2,4-triazol-2-yl)ethanone Traditional Name: 1-[5-(methylthio)-3-phenyl-1,3-dihydro-1,2,4-triazol-2-yl]ethanone Formula: C11H13N3OS MolecularWeight: 235.30542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(N=C(N1)SC)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N1C(N=C(N1)SC)C2=CC=CC=C2

InChI

InChI=1S/C11H13N3OS/c1-8(15)14-10(12-11(13-14)16-2)9-6-4-3-5-7-9/h3-7,10H,1-2H3,(H,12,13)