N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzofuran-2-carboxamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)coumarilamide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

InChI

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