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

Systemtic Name: 3,6-dimethyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3,6-dimethyl-benzofuran-2-carboxamide CAS Name: 3,6-dimethyl-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-2-benzofurancarboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3,6-dimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3,6-dimethyl-coumarilamide Formula: C20H17N3O2S2 MolecularWeight: 395.49788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(O2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(O2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)C

InChI

InChI=1S/C20H17N3O2S2/c1-12-8-9-15-13(2)17(25-16(15)10-12)18(24)21-19-22-23-20(27-19)26-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,21,22,24)