2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone CAS Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-1-phenylethanone IUPAC Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone Traditional Name: 2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-1-phenyl-ethanone Formula: C19H19N3OS MolecularWeight: 337.43866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CCC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C19H19N3OS/c1-22-18(13-12-15-8-4-2-5-9-15)20-21-19(22)24-14-17(23)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3