3-[3-cyclopropyl-5-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-cyclopropyl-5-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(3-acetyl-2,4,6-trimethylphenyl)methylthio]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(3-acetyl-2,4,6-trimethyl-benzyl)thio]-5-cyclopropyl-1,2,4-triazol-4-yl]propionamide Formula: C20H26N4O2S MolecularWeight: 386.51104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NN=C(N2CCC(=O)N)C3CC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CSC2=NN=C(N2CCC(=O)N)C3CC3)C

InChI

InChI=1S/C20H26N4O2S/c1-11-9-12(2)18(14(4)25)13(3)16(11)10-27-20-23-22-19(15-5-6-15)24(20)8-7-17(21)26/h9,15H,5-8,10H2,1-4H3,(H2,21,26)