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

Systemtic Name: 2-[[5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C18H17N3O2S MolecularWeight: 339.41148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NC(=NN2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NC(=NN2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S/c1-13-7-9-15(10-8-13)23-11-17-19-18(21-20-17)24-12-16(22)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,20,21)