2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,4,5-trimethylphenyl)ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,4,5-trimethylphenyl)ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,4,5-trimethylphenyl)ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-(2,4,5-trimethylphenyl)ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,4,5-trimethylphenyl)ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-(2,4,5-trimethylphenyl)ethanone Formula: C18H17NO2S MolecularWeight: 311.39808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CSC2=NC3=CC=CC=C3O2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CSC2=NC3=CC=CC=C3O2)C)C

InChI

InChI=1S/C18H17NO2S/c1-11-8-13(3)14(9-12(11)2)16(20)10-22-18-19-15-6-4-5-7-17(15)21-18/h4-9H,10H2,1-3H3