2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone CAS Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethoxyphenyl)ethanone IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone Traditional Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethoxyphenyl)ethanone Formula: C18H21N3O3S MolecularWeight: 359.44264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)CSC2=NN=C(N2C3CC3)C4CC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)CSC2=NN=C(N2C3CC3)C4CC4

InChI

InChI=1S/C18H21N3O3S/c1-23-13-7-8-16(24-2)14(9-13)15(22)10-25-18-20-19-17(11-3-4-11)21(18)12-5-6-12/h7-9,11-12H,3-6,10H2,1-2H3