N-[5-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide

Systemtic Name: N-[5-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide Openeye Name: N-[5-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide CAS Name: N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide IUPAC Name: N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide Traditional Name: N-[5-[(3-acetyl-2,4,6-trimethyl-benzyl)thio]-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide Formula: C22H23N3O2S2 MolecularWeight: 425.56692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=C(C=C(C(=C3C)C(=O)C)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCC3=C(C=C(C(=C3C)C(=O)C)C)C

InChI

InChI=1S/C22H23N3O2S2/c1-12-7-6-8-17(9-12)20(27)23-21-24-25-22(29-21)28-11-18-13(2)10-14(3)19(15(18)4)16(5)26/h6-10H,11H2,1-5H3,(H,23,24,27)