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

Systemtic Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)ethanone Openeye Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)ethanone CAS Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-1-(3,4,5-trimethoxyphenyl)ethanone IUPAC Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)ethanone Traditional Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-1-(3,4,5-trimethoxyphenyl)ethanone Formula: C19H19N3O4S MolecularWeight: 385.43686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CSC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CSC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O4S/c1-24-16-9-13(10-17(25-2)18(16)26-3)15(23)11-27-19-21-20-12-22(19)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3