2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-dimethylbenzofuran-3-yl)acetamide CAS Name: 2-(4,6-dimethyl-3-benzofuranyl)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-2-(4,6-dimethylbenzofuran-3-yl)acetamide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)OC=C2CC(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)OC=C2CC(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)C

InChI

InChI=1S/C21H19N3O2S2/c1-13-8-14(2)19-16(11-26-17(19)9-13)10-18(25)22-20-23-24-21(28-20)27-12-15-6-4-3-5-7-15/h3-9,11H,10,12H2,1-2H3,(H,22,23,25)